Orange juice
- Group:
- Beverages, Non-alcoholic
Showing entry for Orange juice
Identification
- Name
- Orange juice
- Food group
- Beverages, Non-alcoholic
External Links
No external links
Compounds
| Name | Structure | Monoisotopic mass/Formula | Family | Class | |||
|---|---|---|---|---|---|---|---|
| Limonene |  InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3 | 136.125200515 C10H16 | Terpenoids | Monoterpenoids | Publications | Show | |
| Linalool |  InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3 | 154.1357652 C10H18O | Terpenoids | Monoterpenoids | Publications | Show | |
| Pinene-alpha |  InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3 | 136.125200515 C10H16 | Terpenoids | Monoterpenoids | Publications | Show | |
| Sabinene |  InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m1/s1 | 136.125200515 C10H16 | Terpenoids | Monoterpenoids | Publications | Show | |
| Terpinene-gamma |  InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3 | 136.125200515 C10H16 | Terpenoids | Monoterpenoids | Publications | Show | |
| Terpineol-alpha |  InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3 | 154.1357652 C10H18O | Terpenoids | Monoterpenoids | Publications | Show | |
| Valencene |  InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13-,15+/m1/s1 | 204.187800773 C15H24 | Terpenoids | Sesquiterpenoids | Publications | Show | |
| Cryptoxanthin-beta |  InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1 | 552.433116423 C40H56O | Terpenoids | Carotenoids | Publications | Show | |
| Campesterol |  InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23?,24?,25?,26?,27+,28-/m1/s1 | 400.370516158 C28H48O | Terpenoids | Phytosterols | Publications | Show | |
| Sitosterol-beta |  InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24?,25?,26?,27?,28+,29-/m1/s1 | 414.38616623 C29H50O | Terpenoids | Phytosterols | Publications | Show | |
| Stigmasterol |  InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24?,25?,26?,27?,28+,29-/m1/s1 | 412.370516166 C29H48O | Terpenoids | Phytosterols | Publications | Show | |
| Hesperetin |  InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3 | 302.079038171 C16H14O6 | Polyphenols | Flavonoids | Publications | Show | |
| Hesperidin |  InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17?,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 | 610.189770395 C28H34O15 | Polyphenols | Flavonoids | Publications | Show | |
| Narirutin |  InChI=1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3/t10-,16?,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1 | 580.17920571 C27H32O14 | Polyphenols | Flavonoids | Publications | Show | |
| Didymin |  InChI=1S/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3/t11-,17?,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 | 594.194855775 C28H34O14 | Polyphenols | Flavonoids | Publications | Show | |
| Ferulic acid |  InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ | 194.057908808 C10H10O4 | Polyphenols | Phenolic acids | Publications | Show | |
| Coumaric acid (p-) |  InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ | 164.047344122 C9H8O3 | Polyphenols | Phenolic acids | Publications | Show | |
| Sinapic acid |  InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+ | 224.068473494 C11H12O5 | Polyphenols | Phenolic acids | Publications | Show | |
| Quercetin |  InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | 302.042652674 C15H10O7 | Polyphenols | Flavonoids | Publications | Show | |
| Vicenin 2 |  InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2/t12-,13-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1 | 594.15847029 C27H30O15 | Polyphenols | Flavonoids | Publications | Show | |
| Phlorin |  InChI=1S/C13H18O7/c14-5-6-1-10(12(18)13(19)11(6)17)20-9-3-7(15)2-8(16)4-9/h2-4,6,10-19H,1,5H2/t6-,10-,11?,12?,13+/m1/s1 | 286.10525292 C13H18O7 | Polyphenols | Miscellaneous polyphenols | Publications | Show | |
| Proline betaine |  InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1 | 143.094628665 C7H13NO2 | N-containing compounds | Amino acids | Publications | Show |
Related Metabolites
| Name | Structure | Monoisotopic mass/Formula | Family | Class | |||
|---|---|---|---|---|---|---|---|
| 2-Methoxyphenylacetic acid |  InChI=1S/C9H10O3/c1-12-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) | 166.062994182 C9H10O3 | Polyphenols | Flavonoids | Show | ||
| 2,4,6-Trihydroxybenzoic acid |  InChI=1S/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12) | 170.021523302 C7H6O5 | Polyphenols | Flavonoids | Show | ||
| 3-(3'-Hydroxy-4'-methoxyphenyl)hydracrylic acid |  InChI=1S/C10H12O5/c1-15-9-3-2-6(4-8(9)12)7(11)5-10(13)14/h2-4,7,11-12H,5H2,1H3,(H,13,14) | 212.068473486 C10H12O5 | Polyphenols | Phenolic acids | Show | ||
| 3-(3'-Hydroxy-4'-methoxyphenyl)propionic acid |  InChI=1S/C10H12O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13) | 196.073558866 C10H12O4 | Not Available | Show | |||
| 3-(3'-Hydroxyphenyl)propionic acid |  InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12) | 166.062994186 C9H10O3 | Polyphenols | Phenolic acids | Show | ||
| 3-(3'-Hydroxyphenyl)propionic acid | InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12) | 166.062994186 C9H10O3 | Polyphenols | Phenolic acids | Show | ||
| 3-Hydroxybenzoic acid |  InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10) | 138.031694053 C7H6O3 | Polyphenols | Phenolic acids | Show | ||
| 3-Hydroxyhippuric acid |  InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) | 195.053157781 C9H9NO4 | Polyphenols | Phenolic acids | Show | ||
| 3-Phenylpropionic acid |  InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) | 150.068079564 C9H10O2 | Polyphenols | Phenolic acids | Show | ||
| 3-Phenylpropionic acid | InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) | 150.068079564 C9H10O2 | Polyphenols | Phenolic acids | Show | ||
| 3,4-Dihydroxybenzoic acid |  InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) | 154.026608673 C7H6O4 | Polyphenols | Phenolic acids | Show | ||
| 3,4-Dimethoxybenzoic acid |  InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11) | 182.057908808 C9H10O4 | Polyphenols | Phenolic acids | Show | ||
| 3'-Hydroxyphenylacetic acid |  InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) | 152.047344122 C8H8O3 | Polyphenols | Phenolic acids | Show | ||
| 3',4'-Dihydroxyphenylacetic acid |  InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) | 168.042258744 C8H8O4 | Polyphenols | Phenolic acids | Show | ||
| 3',4'-Dihydroxyphenylacetic acid | InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) | 168.042258744 C8H8O4 | Polyphenols | Phenolic acids | Show | ||
| 4-Ethylbenzoic acid |  InChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11) | 150.068079564 C9H10O2 | Polyphenols | Flavonoids | Show | ||
| 4-Ethylphenol |  InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3 | 122.073164942 C8H10O | Polyphenols | Phenolic acids | Show | ||
| 4-Hydroxyhippuric acid |  InChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) | 195.053157781 C9H9NO4 | Polyphenols | Phenolic acids | Show | ||
| 4-Hydroxyhippuric acid | InChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) | 195.053157781 C9H9NO4 | Polyphenols | Phenolic acids | Show | ||
| 4'-Hydroxyphenylacetic acid |  InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) | 152.047344122 C8H8O3 | Polyphenols | Phenolic acids | Show | ||
| Benzoic acid |  InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) | 122.036779433 C7H6O2 | Polyphenols | Phenolic acids | Show | ||
| Benzoic acid | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) | 122.036779433 C7H6O2 | Polyphenols | Phenolic acids | Show | ||
| Carveol (trans-) |  InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3 | 152.120115135 C10H16O | Terpenoids | Monoterpenoids | Show | ||
| Carvone |  InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3 | 150.104465071 C10H14O | Terpenoids | Monoterpenoids | Show | ||
| Coumaric acid sulfate (p-) |  | 244.2233596 C9H8O6S | Polyphenols | Phenolic acids | Show | ||
| Coumaric acid sulfoglucuronide (p-) |  | 420.3492191 C15H16O12S | Polyphenols | Phenolic acids | Show | ||
| Coumaric acid-4'-O-glucuronide |  InChI=1S/C15H16O9/c16-9(17)6-3-7-1-4-8(5-2-7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-6,10-13,15,18-20H,(H,16,17)(H,21,22)/b6-3+/t10-,11-,12+,13-,15+/m0/s1 | 340.079432095 C15H16O9 | Polyphenols | Phenolic acids | Show | ||
| Dihydro-p-coumaric acid |  InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12) | 166.062994186 C9H10O3 | Polyphenols | Phenolic acids | Show | ||
| Dihydro-p-coumaric acid | InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12) | 166.062994186 C9H10O3 | Polyphenols | Phenolic acids | Show | ||
| Dihydro-p-coumaric acid | InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12) | 166.062994186 C9H10O3 | Polyphenols | Phenolic acids | Show | ||
| Dihydrocaffeic acid |  InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13) | 182.057908808 C9H10O4 | Polyphenols | Phenolic acids | Show | ||
| Dihydroferulic acid |  InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13) | 196.073558872 C10H12O4 | Polyphenols | Phenolic acids | Show | ||
| Dihydroisoferulic acid |  InChI=1S/C10H12O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13) | 196.073558866 C10H12O4 | Polyphenols | Phenolic acids | Show | ||
| Dihydroisoferulic acid-3'-O-glucuronide |  InChI=1S/C15H18O10/c16-7-3-1-6(2-4-9(17)18)5-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1,3,5,10-13,15-16,19-21H,2,4H2,(H,17,18)(H,22,23) | 358.08999678 C15H18O10 | Polyphenols | Phenolic acids | Show | ||
| Dihydroperillic acid (cis-) |  InChI=1S/C10H16O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h8-9H,1,3-6H2,2H3,(H,11,12)/t8-,9- | 168.115029755 C10H16O2 | Terpenoids | Monoterpenoids | Show | ||
| Dihydroperillic acid (trans-) |  InChI=1S/C10H16O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h8-9H,1,3-6H2,2H3,(H,11,12)/t8-,9+ | 168.115029755 C10H16O2 | Terpenoids | Monoterpenoids | Show | ||
| Dihydroperillic acid glucuronide (cis-) |  InChI=1S/C16H24O8/c1-7(2)8-3-5-9(6-4-8)14(21)23-16-10(13(19)20)11(17)12(18)15(22)24-16/h8-12,15-18,22H,1,3-6H2,2H3,(H,19,20)/t8-,9-,10?,11?,12?,15?,16? | 344.147117733 C16H24O8 | Terpenoids | Monoterpenoids | Show | ||
| Dihydroperillic acid glucuronide (trans-) |  InChI=1S/C16H24O8/c1-7(2)8-3-5-9(6-4-8)15(22)24-16-12(19)10(17)11(18)13(23-16)14(20)21/h8-13,16-19H,1,3-6H2,2H3,(H,20,21)/t8-,9+,10?,11?,12?,13?,16? | 344.147117733 C16H24O8 | Terpenoids | Monoterpenoids | Show | ||
| Eriodictyol |  InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2 | 288.063388106 C15H12O6 | Polyphenols | Flavonoids | Show | ||
| Ferulic acid sulfoglucuronide |  | 450.375513 C16H18O13S | Polyphenols | Phenolic acids | Show | ||
| Ferulic acid-4'-O-glucuronide |  InChI=1S/C16H18O10/c1-24-9-6-7(3-5-10(17)18)2-4-8(9)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m1/s1 | 370.08999678 C16H18O10 | Polyphenols | Phenolic acids | Show | ||
| Ferulic acid-4'-sulfate |  InChI=1S/C10H10O7S/c1-16-9-6-7(3-5-10(11)12)2-4-8(9)17-18(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b5-3+ | 274.014723364 C10H10O7S | Polyphenols | Phenolic acids | Show | ||
| Feruloylglycine |  InChI=1S/C12H13NO5/c1-18-10-6-8(2-4-9(10)14)3-5-11(15)13-7-12(16)17/h2-6,14H,7H2,1H3,(H,13,15)(H,16,17)/b5-3+ | 251.079372531 C12H13NO5 | Polyphenols | Phenolic acids | Show | ||
| Hesperetin | InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3 | 302.079038171 C16H14O6 | Polyphenols | Flavonoids | Show | ||
| Hesperetin 3'-O-glucuronide |  InChI=1S/C22H22O12/c1-31-12-3-2-8(13-7-11(25)16-10(24)5-9(23)6-15(16)32-13)4-14(12)33-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,13,17-20,22-24,26-28H,7H2,1H3,(H,29,30) | 478.111126148 C22H22O12 | Polyphenols | Flavonoids | Show | ||
| Hesperetin 3'-O-glucuronide | InChI=1S/C22H22O12/c1-31-12-3-2-8(13-7-11(25)16-10(24)5-9(23)6-15(16)32-13)4-14(12)33-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,13,17-20,22-24,26-28H,7H2,1H3,(H,29,30) | 478.111126148 C22H22O12 | Polyphenols | Flavonoids | Show | ||
| Hesperetin 3'-O-sulfate |  InChI=1S/C16H14O9S/c1-23-12-3-2-8(4-14(12)25-26(20,21)22)13-7-11(19)16-10(18)5-9(17)6-15(16)24-13/h2-6,13,17-18H,7H2,1H3,(H,20,21,22) | 382.035852736 C16H14O9S | Polyphenols | Flavonoids | Show | ||
| Hesperetin 3'-O-sulfate | InChI=1S/C16H14O9S/c1-23-12-3-2-8(4-14(12)25-26(20,21)22)13-7-11(19)16-10(18)5-9(17)6-15(16)24-13/h2-6,13,17-18H,7H2,1H3,(H,20,21,22) | 382.035852736 C16H14O9S | Polyphenols | Flavonoids | Show | ||
| Hesperetin 3',7-O-diglucuronide |  InChI=1S/C28H30O18/c1-41-12-3-2-8(4-14(12)44-28-22(36)18(32)20(34)24(46-28)26(39)40)13-7-11(30)16-10(29)5-9(6-15(16)43-13)42-27-21(35)17(31)19(33)23(45-27)25(37)38/h2-6,13,17-24,27-29,31-36H,7H2,1H3,(H,37,38)(H,39,40) | 654.143214126 C28H30O18 | Polyphenols | Flavonoids | Show | ||
| Hesperetin 3',7-O-diglucuronide | InChI=1S/C28H30O18/c1-41-12-3-2-8(4-14(12)44-28-22(36)18(32)20(34)24(46-28)26(39)40)13-7-11(30)16-10(29)5-9(6-15(16)43-13)42-27-21(35)17(31)19(33)23(45-27)25(37)38/h2-6,13,17-24,27-29,31-36H,7H2,1H3,(H,37,38)(H,39,40) | 654.143214126 C28H30O18 | Polyphenols | Flavonoids | Show | ||
| Hesperetin 5,7-O-diglucuronide |  InChI=1S/C28H30O18/c1-41-12-3-2-8(4-10(12)29)13-7-11(30)16-14(43-13)5-9(42-27-21(35)17(31)19(33)23(45-27)25(37)38)6-15(16)44-28-22(36)18(32)20(34)24(46-28)26(39)40/h2-6,13,17-24,27-29,31-36H,7H2,1H3,(H,37,38)(H,39,40) | 654.143214126 C28H30O18 | Polyphenols | Flavonoids | Show | ||
| Hesperetin 5,7-O-diglucuronide | InChI=1S/C28H30O18/c1-41-12-3-2-8(4-10(12)29)13-7-11(30)16-14(43-13)5-9(42-27-21(35)17(31)19(33)23(45-27)25(37)38)6-15(16)44-28-22(36)18(32)20(34)24(46-28)26(39)40/h2-6,13,17-24,27-29,31-36H,7H2,1H3,(H,37,38)(H,39,40) | 654.143214126 C28H30O18 | Polyphenols | Flavonoids | Show | ||
| Hesperetin 7-O-glucuronide |  InChI=1S/C22H22O12/c1-31-13-3-2-8(4-10(13)23)14-7-12(25)16-11(24)5-9(6-15(16)33-14)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,14,17-20,22-24,26-28H,7H2,1H3,(H,29,30) | 478.111126148 C22H22O12 | Polyphenols | Flavonoids | Show | ||
| Hesperetin 7-O-glucuronide | InChI=1S/C22H22O12/c1-31-13-3-2-8(4-10(13)23)14-7-12(25)16-11(24)5-9(6-15(16)33-14)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,14,17-20,22-24,26-28H,7H2,1H3,(H,29,30) | 478.111126148 C22H22O12 | Polyphenols | Flavonoids | Show | ||
| Hesperetin sulfoglucuronide |  | 558.4722484 C22H22O15S | Polyphenols | Flavonoids | Show | ||
| Hesperetin sulfoglucuronide | | 558.4722484 C22H22O15S | Polyphenols | Flavonoids | Show | ||
| Hesperetin-O-sulfate |  | 382.3463889 C16H14O9S | Polyphenols | Flavonoids | Show | ||
| Hippuric acid |  InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) | 179.058243159 C9H9NO3 | Polyphenols | Phenolic acids | Show | ||
| Hippuric acid | InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) | 179.058243159 C9H9NO3 | Polyphenols | Phenolic acids | Show | ||
| Homoeriodictyol |  InChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-6,13,17-19H,7H2,1H3 | 302.07903818 C16H14O6 | Polyphenols | Flavonoids | Show | ||
| Homoeriodictyol 4'-O-glucuronide |  InChI=1S/C22H22O12/c1-31-14-4-8(13-7-11(25)16-10(24)5-9(23)6-15(16)32-13)2-3-12(14)33-20-18(27)17(26)19(21(28)29)34-22(20)30/h2-6,13,17-20,22-24,26-27,30H,7H2,1H3,(H,28,29) | 478.111126148 C22H22O12 | Polyphenols | Flavonoids | Show | ||
| Homoeriodictyol 7-O-glucuronide |  InChI=1S/C22H22O12/c1-31-14-4-8(2-3-10(14)23)13-7-12(25)16-11(24)5-9(6-15(16)33-13)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,13,17-20,22-24,26-28H,7H2,1H3,(H,29,30) | 478.111126148 C22H22O12 | Polyphenols | Flavonoids | Show | ||
| Homoeriodictyol O-sulfate |  | 382.3463889 C16H14O9S | Polyphenols | Flavonoids | Show | ||
| Homovanillic acid |  InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12) | 182.057908808 C9H10O4 | Polyphenols | Phenolic acids | Show | ||
| Hydroxybenzoic acid (p-) |  InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) | 138.031694053 C7H6O3 | Polyphenols | Phenolic acids | Show | ||
| Hydroxybenzoic acid (p-) | InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) | 138.031694053 C7H6O3 | Polyphenols | Phenolic acids | Show | ||
| Isorhamnetin |  InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 | 316.058302738 C16H12O7 | Polyphenols | Flavonoids | Show | ||
| Isorhamnetin 3-O-glucuronide |  InChI=1S/C22H20O13/c1-32-11-4-7(2-3-9(11)24)18-19(14(26)13-10(25)5-8(23)6-12(13)33-18)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-25,27-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1 | 492.090390726 C22H20O13 | Polyphenols | Flavonoids | Show | ||
| Isorhamnetin 4'-O-glucuronide |  InChI=1S/C22H20O13/c1-32-11-4-7(19-16(27)14(25)13-9(24)5-8(23)6-12(13)33-19)2-3-10(11)34-22-18(29)15(26)17(28)20(35-22)21(30)31/h2-6,15,17-18,20,22-24,26-29H,1H3,(H,30,31)/t15-,17-,18+,20-,22+/m0/s1 | 492.090390726 C22H20O13 | Polyphenols | Flavonoids | Show | ||
| Isorhamnetin 7-O-glucuronide |  InChI=1S/C22H20O13/c1-32-11-4-7(2-3-9(11)23)19-16(27)14(25)13-10(24)5-8(6-12(13)34-19)33-22-18(29)15(26)17(28)20(35-22)21(30)31/h2-6,15,17-18,20,22-24,26-29H,1H3,(H,30,31) | 492.090390704 C22H20O13 | Polyphenols | Flavonoids | Show | ||
| Limonene-1,2-diol |  InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1 | 170.13067982 C10H18O2 | Terpenoids | Monoterpenoids | Show | ||
| Limonene-1,2-epoxide |  InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3 | 152.120115134 C10H16O | Terpenoids | Monoterpenoids | Show | ||
| Limonene-1,2-glycol |  InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3 | 170.13067982 C10H18O2 | Terpenoids | Monoterpenoids | Show | ||
| Limonene-10-ol |  InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,10-11H,2,4-7H2,1H3 | 152.120115135 C10H16O | Terpenoids | Monoterpenoids | Show | ||
| Limonene-10-ol-glucuronide |  InChI=1S/C16H24O7/c1-8-3-5-10(6-4-8)9(2)7-22-16-13(19)11(17)12(18)14(23-16)15(20)21/h3,10-14,16-19H,2,4-7H2,1H3,(H,20,21) | 328.152203113 C16H24O7 | Terpenoids | Monoterpenoids | Show | ||
| Limonene-8,9-diol |  InChI=1S/C10H18O2/c1-8-3-5-9(6-4-8)10(2,12)7-11/h3,9,11-12H,4-7H2,1-2H3 | 170.13067982 C10H18O2 | Terpenoids | Monoterpenoids | Show | ||
| Limonene-8,9-diol glucuronide |  InChI=1S/C16H26O8/c1-8-3-5-9(6-4-8)16(2,22)7-23-15-12(19)10(17)11(18)13(24-15)14(20)21/h3,9-13,15,17-19,22H,4-7H2,1-2H3,(H,20,21) | 346.162767797 C16H26O8 | Terpenoids | Monoterpenoids | Show | ||
| Limonene-8,9-epoxide |  InChI=1S/C10H16O/c1-8-3-5-9(6-4-8)10(2)7-11-10/h3,9H,4-7H2,1-2H3 | 152.120115135 C10H16O | Terpenoids | Monoterpenoids | Show | ||
| Methylquercetin diglucuronide |  | C28H28O19 | Polyphenols | Flavonoids | Show | ||
| Myrtenic acid |  InChI=1S/C10H14O2/c1-10(2)6-3-4-7(9(11)12)8(10)5-6/h4,6,8H,3,5H2,1-2H3,(H,11,12) | 166.099379691 C10H14O2 | Terpenoids | Monoterpenoids | Show | ||
| Myrtenol |  InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3 | 152.120115135 C10H16O | Terpenoids | Monoterpenoids | Show | ||
| Naringenin 4'-O-glucuronide |  InChI=1S/C21H20O11/c22-9-5-11(23)15-12(24)7-13(31-14(15)6-9)8-1-3-10(4-2-8)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29) | 448.100561464 C21H20O11 | Polyphenols | Flavonoids | Show | ||
| Naringenin 7-O-glucuronide |  InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29) | 448.100561482 C21H20O11 | Polyphenols | Flavonoids | Show | ||
| Naringenin O-diglucuronide |  | 624.5095093 C27H28O17 | Polyphenols | Flavonoids | Show | ||
| p-mentha-1,8-dien-carboxylic-acid |  InChI=1S/C10H14O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3,9H,2,4-6H2,1H3,(H,11,12) | 166.099379691 C10H14O2 | Terpenoids | Monoterpenoids | Show | ||
| Perillic acid |  InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12) | 166.099379691 C10H14O2 | Terpenoids | Monoterpenoids | Show | ||
| Perillic acid glucuronide |  InChI=1S/C16H22O8/c1-7(2)8-3-5-9(6-4-8)15(22)24-16-12(19)10(17)11(18)13(23-16)14(20)21/h5,8,10-13,16-19H,1,3-4,6H2,2H3,(H,20,21) | 342.131467668 C16H22O8 | Terpenoids | Monoterpenoids | Show | ||
| Perillic acid-8,9-diol |  InChI=1S/C10H16O4/c1-10(14,6-11)8-4-2-7(3-5-8)9(12)13/h2,8,11,14H,3-6H2,1H3,(H,12,13) | 200.104858995 C10H16O4 | Terpenoids | Monoterpenoids | Show | ||
| Perillyl alcohol |  InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3 | 152.120115135 C10H16O | Terpenoids | Monoterpenoids | Show | ||
| Perillyl glycine |  InChI=1S/C12H17NO3/c1-8(2)9-3-5-10(6-4-9)12(16)13-7-11(14)15/h5,9H,1,3-4,6-7H2,2H3,(H,13,16)(H,14,15) | 223.120843411 C12H17NO3 | Terpenoids | Monoterpenoids | Show | ||
| Phloroglucinol |  InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H | 126.031694058 C6H6O3 | Polyphenols | Phenolic acids | Show | ||
| Phloroglucinol | InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H | 126.031694058 C6H6O3 | Polyphenols | Phenolic acids | Show | ||
| Protocatechuic acid |  InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) | 154.026608673 C7H6O4 | Polyphenols | Phenolic acids | Show | ||
| Quercetin 3-O-glucuronide |  InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31) | 478.074740662 C21H18O13 | Polyphenols | Flavonoids | Show | ||
| Quercetin 3'-O-glucuronide |  InChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-8(23)10(3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16-,17+,19-,21+/m0/s1 | 478.074740662 C21H18O13 | Polyphenols | Flavonoids | Show | ||
| Quercetin 3'-O-sulfate |  InChI=1S/C15H10O10S/c16-7-4-9(18)12-11(5-7)24-15(14(20)13(12)19)6-1-2-8(17)10(3-6)25-26(21,22)23/h1-5,16-18,20H,(H,21,22,23) | 381.99946723 C15H10O10S | Polyphenols | Flavonoids | Show | ||
| Quercetin 4'-O-glucuronide |  InChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-10(8(23)3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16-,17+,19-,21+/m0/s1 | 478.074740662 C21H18O13 | Polyphenols | Flavonoids | Show | ||
| Quercetin 7-O-glucuronide |  InChI=1S/C21H18O13/c22-8-2-1-6(3-9(8)23)18-15(27)13(25)12-10(24)4-7(5-11(12)33-18)32-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16-,17+,19-,21+/m0/s1 | 478.07474064 C21H18O13 | Polyphenols | Flavonoids | Show | ||
| Quercetin 7-O-sulfate |  InChI=1S/C15H10O10S/c16-8-2-1-6(3-9(8)17)15-14(20)13(19)12-10(18)4-7(5-11(12)24-15)25-26(21,22)23/h1-5,16-18,20H,(H,21,22,23) | 381.999467696 C15H10O10S | Polyphenols | Flavonoids | Show | ||
| Quercetin diglucuronide |  | C27H26O19 | Polyphenols | Flavonoids | Show | ||
| Quercetin glucuronide |  | 478.3663081 C21H18O13 | Polyphenols | Flavonoids | Show | ||
| Quercetin glucuronide sulfate |  | C21H18O16S | Polyphenols | Flavonoids | Show | ||
| Quercetin sulfate |  | C15H10O10S | Polyphenols | Flavonoids | Show | ||
| Sinapic acid O-glucuronide |  InChI=1S/C17H20O11/c1-25-8-5-7(6-9(26-2)11(8)19)3-4-10(18)27-17-14(22)12(20)13(21)15(28-17)16(23)24/h3-6,12-15,17,19-22H,1-2H3,(H,23,24)/b4-3+/t12-,13-,14+,15-,17+/m0/s1 | 400.100561482 C17H20O11 | Polyphenols | Phenolic acids | Show | ||
| Sinapic acid-O-sulfate |  InChI=1S/C11H12O8S/c1-17-8-5-7(6-9(18-2)11(8)13)3-4-10(12)19-20(14,15)16/h3-6,13H,1-2H3,(H,14,15,16)/b4-3+ | 304.02528805 C11H12O8S | Polyphenols | Phenolic acids | Show | ||
| Vanillic acid |  InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) | 168.042258738 C8H8O4 | Polyphenols | Phenolic acids | Show | ||
| Vanilloylglycine |  InChI=1S/C10H11NO5/c1-16-8-4-6(2-3-7(8)12)10(15)11-5-9(13)14/h2-4,12H,5H2,1H3,(H,11,15)(H,13,14) | 225.063722467 C10H11NO5 | Polyphenols | Phenolic acids | Show | ||
| Verbenol (trans-) |  InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3 | 152.120115135 C10H16O | Terpenoids | Monoterpenoids | Show |