Lettuce
- Group:
- Vegetables, Leaf vegetables
Showing entry for Lettuce
Identification
- Name
- Lettuce
- Food group
- Vegetables, Leaf vegetables
Compounds
| Name | Structure | Monoisotopic mass/Formula | Family | Class | |||
|---|---|---|---|---|---|---|---|
| Deoxylactucin (8-) |  InChI=1S/C15H16O4/c1-7-3-4-10-8(2)15(18)19-14(10)13-9(6-16)5-11(17)12(7)13/h5,10,13-14,16H,2-4,6H2,1H3/t10-,13-,14-/m0/s1 | 260.104858995 C15H16O4 | Terpenoids | Sesquiterpenoids | Publications | Show | |
| Lactucin |  InChI=1S/C15H16O5/c1-6-3-9(17)12-7(2)15(19)20-14(12)13-8(5-16)4-10(18)11(6)13/h4,9,12-14,16-17H,2-3,5H2,1H3 | 276.099773615 C15H16O5 | Terpenoids | Sesquiterpenoids | Publications | Show | |
| Lactupicrin |  InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,17,20-22,24-25H,2,7-8,10H2,1H3/t17-,20+,21-,22-/m0/s1 | 410.136553048 C23H22O7 | Terpenoids | Sesquiterpenoids | Publications | Show | |
| Phytol |  InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1 | 296.307915908 C20H40O | Terpenoids | Diterpenoids | Publications | Show | |
| Carotene-beta |  InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ | 536.438201803 C40H56 | Terpenoids | Carotenoids | Publications | Show | |
| Lactucaxanthin |  InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35-38,41-42H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37-,38-/m0/s1 | 568.428031043 C40H56O2 | Terpenoids | Carotenoids | Publications | Show | |
| Lutein |  InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1 | 568.428031043 C40H56O2 | Terpenoids | Carotenoids | Publications | Show | |
| Violaxanthin |  InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1 | 600.417860283 C40H56O4 | Terpenoids | Carotenoids | Publications | Show | |
| Zeaxanthin |  InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1 | 568.428031043 C40H56O2 | 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 | |
| Coumaric acid (m-) |  InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+ | 164.047344122 C9H8O3 | Polyphenols | Phenolic acids | Publications | 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 | Publications | Show | |
| Caftaric acid |  InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+ | 312.048131982 C13H12O9 | Polyphenols | Phenolic acids | Publications | Show | |
| Putrescine |  InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2 | 88.100048394 C4H12N2 | N-containing compounds | Amines | Publications | Show | |
| Chlorogenic acid |  InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+ | 354.095082174 C16H18O9 | Polyphenols | Phenolic acids | Publications | Show | |
| Cyanidin 3-O-(6''-malonyl-glucoside) |  InChI=1S/C24H22O15/c25-9-3-11(26)10-5-15(23(37-14(10)4-9)8-1-12(27)19(32)13(28)2-8)38-24-22(35)21(34)20(33)16(39-24)7-36-18(31)6-17(29)30/h1-5,16,20-22,24,26-28,32-35H,6-7H2,(H,29,30)/p-1/t16-,20-,21+,22-,24?/m1/s1 | 549.088045002 C24H21O15 | Polyphenols | Flavonoids | Publications | Show | |
| Cyanidin 3-O-glucoside |  InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19-,21-/m0/s1 | 449.107837916 C21H21O11 | Polyphenols | Flavonoids | Publications | Show | |
| Luteolin 7-O-glucuronide |  InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1 | 462.07982604 C21H18O12 | Polyphenols | Flavonoids | 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 | |
| Quercetin 3-O-(6"-malonyl-glucoside) |  InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30) | 550.095870034 C24H22O15 | Polyphenols | Flavonoids | Publications | Show | |
| Isoquercitrin |  InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 | 464.095476104 C21H20O12 | Polyphenols | Flavonoids | Publications | 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 | Publications | Show | |
| Quercitrin |  InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m1/s1 | 448.100561464 C21H20O11 | Polyphenols | Flavonoids | Publications | Show | |
| Tryptamine |  InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 | 160.100048394 C10H12N2 | N-containing compounds | Amines | Publications | Show | |
| Tryptophan |  InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) | 204.089877638 C11H12N2O2 | N-containing compounds | Amino acids | Publications | Show |
Related Metabolites
| Name | Structure | Monoisotopic mass/Formula | Family | Class | |||
|---|---|---|---|---|---|---|---|
| 2-Hydroxy-4-methoxybenzoic acid |  InChI=1S/C8H8O4/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11) | 168.042258744 C8H8O4 | Polyphenols | Flavonoids | Show | ||
| 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-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid |  InChI=1S/C13H14O10/c14-5-2-1-4(11(18)19)3-6(5)22-13-9(17)7(15)8(16)10(23-13)12(20)21/h1-3,7-10,13-17H,(H,18,19)(H,20,21)/t7-,8-,9+,10?,13-/m0/s1 | 330.058696651 C13H14O10 | Polyphenols | Flavonoids | 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-(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-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-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-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'-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-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid |  InChI=1S/C13H14O10/c14-5-3-4(11(18)19)1-2-6(5)22-13-9(17)7(15)8(16)10(23-13)12(20)21/h1-3,7-10,13-17H,(H,18,19)(H,20,21)/t7-,8-,9+,10?,13-/m0/s1 | 330.058696651 C13H14O10 | Polyphenols | Flavonoids | Show | ||
| 4-(1-Carboxyphenyl)beta-D-glucuronic acid |  InChI=1S/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-3-1-5(2-4-6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20)/t7-,8-,9+,10?,13-/m0/s1 | 314.063782031 C13H14O9 | Polyphenols | Flavonoids | 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-Hydroxybenzaldehyde |  InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H | 122.036779436 C7H6O2 | Polyphenols | Phenolic acids | Show | ||
| 4-Hydroxybenzoic acid |  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 | ||
| 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-Methoxybenzaldehyde |  InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3 | 136.0524295 C8H8O2 | Polyphenols | Flavonoids | 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 | ||
| 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 | ||
| 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 | ||
| Caffeic acid |  InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ | 180.042258744 C9H8O4 | Polyphenols | Phenolic acids | Show | ||
| Caffeic acid | InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ | 180.042258744 C9H8O4 | Polyphenols | Phenolic acids | Show | ||
| Coumaric acid (m-) | InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+ | 164.047344122 C9H8O3 | Polyphenols | Phenolic acids | Show | ||
| Coumaric acid glucuronide (m-) |  | 340.2869145 C15H16O9 | Polyphenols | Phenolic acids | Show | ||
| Cyanidin 3-glucoside glucuronide |  | 639.5444741 C28H31O17 | Polyphenols | Flavonoids | Show | ||
| Cyanidin glucuronide |  | 477.4019678 C22H21O12 | Polyphenols | Flavonoids | 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 | ||
| Dihydrocaffeic 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)/t10-,11-,12+,13-,15+/m1/s1 | 358.08999678 C15H18O10 | Polyphenols | Phenolic acids | Show | ||
| Dihydrocaffeic acid-4'-O-glucuronide |  InChI=1S/C15H18O10/c16-7-5-6(2-4-9(17)18)1-3-8(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)/t10-,11-,12+,13-,15?/m0/s1 | 358.08999678 C15H18O10 | Polyphenols | Phenolic acids | Show | ||
| Dihydrocaffeic acid-4'-sulfate |  InChI=1S/C9H10O7S/c10-7-5-6(2-4-9(11)12)1-3-8(7)16-17(13,14)15/h1,3,5,10H,2,4H2,(H,11,12)(H,13,14,15) | 262.014723836 C9H10O7S | 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 | ||
| 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 | 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 | 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 | ||
| 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 | ||
| 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 | ||
| Hydroxyphytanic acid (alpha-) |  InChI=1S/C20H40O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-19,21H,6-14H2,1-5H3,(H,22,23)/t16-,17-,18?,19?/m1/s1 | 328.297745148 C20H40O3 | Terpenoids | Diterpenoids | Show | ||
| Isoferulic acid |  InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ | 194.057908808 C10H10O4 | Polyphenols | Phenolic acids | Show | ||
| Isoferulic acid | InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ | 194.057908808 C10H10O4 | Polyphenols | Phenolic acids | Show | ||
| Isoferulic acid-3'-sulfate |  InChI=1S/C10H10O7S/c1-16-8-4-2-7(3-5-10(11)12)6-9(8)17-18(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b5-3+ | 274.014723364 C10H10O7S | Polyphenols | Phenolic acids | Show | ||
| Isopeonidin 3-glucoside |  InChI=1S/C22H22O11/c1-30-14-3-2-9(4-13(14)26)21-16(7-11-12(25)5-10(24)6-15(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m0/s1 | 463.123487981 C22H23O11 | Polyphenols | Flavonoids | Show | ||
| Isopeonidin glucuronide |  | 491.4289566 C23H23O12 | Polyphenols | Flavonoids | 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 | ||
| Isovanillic acid |  InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11) | 168.042258744 C8H8O4 | Polyphenols | Phenolic acids | Show | ||
| Isovanillic acid-3-O-glucuronide |  InChI=1S/C14H16O10/c1-22-6-3-2-5(12(18)19)4-7(6)23-14-10(17)8(15)9(16)11(24-14)13(20)21/h2-4,8-11,14-17H,1H3,(H,18,19)(H,20,21) | 344.074346715 C14H16O10 | Polyphenols | Phenolic acids | Show | ||
| Isovanillic acid-3-O-sulfate |  InChI=1S/C8H8O7S/c1-14-6-3-2-5(8(9)10)4-7(6)15-16(11,12)13/h2-4H,1H3,(H,9,10)(H,11,12,13) | 247.999073772 C8H8O7S | Polyphenols | Flavonoids | Show | ||
| Methyl-3,4-dihydroxybenzoate |  InChI=1S/C8H8O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,9-10H,1H3 | 168.042258738 C8H8O4 | Polyphenols | Flavonoids | Show | ||
| Methylcyanidin 3-glucoside-glucuronide |  | 653.5714628 C29H33O17 | Polyphenols | Flavonoids | Show | ||
| Methylcyanidin glucuronide |  | 491.4289566 C23H23O12 | Polyphenols | Flavonoids | Show | ||
| Methylquercetin diglucuronide |  | C28H28O19 | Polyphenols | Flavonoids | Show | ||
| Methylvanillate |  InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3 | 182.057908808 C9H10O4 | Polyphenols | Flavonoids | Show | ||
| Peonidin 3-glucoside |  InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m0/s1 | 463.123487981 C22H23O11 | Polyphenols | Flavonoids | Show | ||
| Peonidin 3-glucoside glucuronide |  | 653.5714628 C29H33O17 | Polyphenols | Flavonoids | Show | ||
| Peonidin glucuronide |  | 491.4289566 C23H23O12 | Polyphenols | Flavonoids | Show | ||
| Phloroglucinaldehyde |  InChI=1S/C7H6O4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-3,9-11H | 154.026608673 C7H6O4 | Polyphenols | Flavonoids | 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 | ||
| Phytanic acid |  InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/t17-,18-,19?/m1/s1 | 312.302830528 C20H40O2 | Terpenoids | Diterpenoids | Show | ||
| Phytenic acid (3-methylene) |  InChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-18H,5-15H2,1-4H3,(H,21,22)/t17-,18-/m1/s1 | 310.287180464 C20H38O2 | Terpenoids | Diterpenoids | Show | ||
| Phytenic acid (cis-delta 2-) |  InChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h15-18H,6-14H2,1-5H3,(H,21,22)/b19-15-/t17-,18-/m1/s1 | 310.287180464 C20H38O2 | Terpenoids | Diterpenoids | Show | ||
| Phytenic acid (cis-delta 3-) |  InChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h14,16-18H,6-13,15H2,1-5H3,(H,21,22)/b19-14-/t17-,18-/m1/s1 | 310.287180464 C20H38O2 | Terpenoids | Diterpenoids | Show | ||
| Phytenic acid (trans-delta 2-) |  InChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h15-18H,6-14H2,1-5H3,(H,21,22)/b19-15+/t17-,18-/m1/s1 | 310.287180464 C20H38O2 | Terpenoids | Diterpenoids | Show | ||
| Phytenic acid (trans-delta 3-) |  InChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h14,16-18H,6-13,15H2,1-5H3,(H,21,22)/b19-14+/t17-,18-/m1/s1 | 310.287180464 C20H38O2 | Terpenoids | Diterpenoids | Show | ||
| Pristanic acid |  InChI=1S/C19H38O2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(20)21/h15-18H,6-14H2,1-5H3,(H,20,21) | 298.287180464 C19H38O2 | Terpenoids | Diterpenoids | Show | ||
| Protocatechualdehyde |  InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H | 138.031694058 C7H6O3 | Polyphenols | Flavonoids | 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 | ||
| 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 | ||
| Protocatechuic acid-3-O-glucuronide |  InChI=1S/C13H14O10/c14-5-2-1-4(11(18)19)3-6(5)22-13-9(17)7(15)8(16)10(23-13)12(20)21/h1-3,7-10,13-17H,(H,18,19)(H,20,21) | 330.058696651 C13H14O10 | Polyphenols | Phenolic acids | Show | ||
| Protocatechuic acid-3-O-sulfate |  InChI=1S/C7H6O7S/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13/h1-3,8H,(H,9,10)(H,11,12,13) | 233.983423707 C7H6O7S | Polyphenols | Phenolic acids | Show | ||
| Protocatechuic acid-4-O-glucuronide |  InChI=1S/C13H14O10/c14-5-3-4(11(18)19)1-2-6(5)22-13-9(17)7(15)8(16)10(23-13)12(20)21/h1-3,7-10,13-17H,(H,18,19)(H,20,21) | 330.058696651 C13H14O10 | Polyphenols | Phenolic acids | Show | ||
| Protocatechuic acid-4-O-sulfate |  InChI=1S/C7H6O7S/c8-5-3-4(7(9)10)1-2-6(5)14-15(11,12)13/h1-3,8H,(H,9,10)(H,11,12,13) | 233.983423707 C7H6O7S | 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 | ||
| 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 | ||
| 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 | ||
| Vanillic acid 4-O-glucuronide |  InChI=1S/C15H18O9/c1-6-10(16)11(17)12(14(20)21)24-15(6)23-8-4-3-7(13(18)19)5-9(8)22-2/h3-6,10-12,15-17H,1-2H3,(H,18,19)(H,20,21) | 342.09508216 C15H18O9 | Polyphenols | Phenolic acids | Show | ||
| Vanillic acid-4-O-sulfate |  InChI=1S/C8H8O7S/c1-14-7-4-5(8(9)10)2-3-6(7)15-16(11,12)13/h2-4H,1H3,(H,9,10)(H,11,12,13) | 247.9990733 C8H8O7S | Polyphenols | Phenolic acids | Show |