Roasted coffee
- Group:
- Coffee and coffee products
Showing entry for Roasted coffee
Identification
- Name
- Roasted coffee
- Food group
- Coffee and coffee products
External Links
No external links
Compounds
| Name | Structure | Monoisotopic mass/Formula | Family | Class | |||
|---|---|---|---|---|---|---|---|
| dehydrocafestol |  InChI=1S/C20H26O2/c1-19-7-5-17-15(6-9-22-17)16(19)4-8-20-10-13(2-3-18(19)20)14(11-20)12-21/h6,9,11,13,16,18,21H,2-5,7-8,10,12H2,1H3 | 298.193280077 C20H26O2 | Terpenoids | Diterpenoids | Publications | Show | |
| dehydrokahweol |  InChI=1S/C20H24O2/c1-19-7-5-17-15(6-9-22-17)16(19)4-8-20-10-13(2-3-18(19)20)14(11-20)12-21/h5-7,9,11,13,16,18,21H,2-4,8,10,12H2,1H3 | 296.177630013 C20H24O2 | Terpenoids | Diterpenoids | Publications | Show | |
| 16-O-Methylcafestol |  InChI=1S/C21H30O3/c1-19-8-6-17-15(7-10-24-17)16(19)5-9-20-11-14(3-4-18(19)20)21(12-20,13-22)23-2/h7,10,14,16,18,22H,3-6,8-9,11-13H2,1-2H3/t14-,16+,18-,19+,20-,21-/m0/s1 | 330.219494826 C21H30O3 | Terpenoids | Diterpenoids | Publications | Show | |
| Atractyloside |  InChI=1S/C30H46O16S2/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41)/p-2/t16-,17-,18-,19-,20-,21+,23-,24+,25-,26+,28-,29-,30-/m1/s1 | 724.208174845 C30H44O16S2 | Terpenoids | Diterpenoids | 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 | |
| sitosterol |  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 | Not Available | Publications | Show | ||
| Trigonelline |  InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3 | 137.047678473 C7H7NO2 | N-containing compounds | Alkaloids | 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 | |
| Caffeine |  InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | 194.080375584 C8H10N4O2 | N-containing compounds | Alkaloids | Publications | Show | |
| Theobromine |  InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) | 180.06472552 C7H8N4O2 | N-containing compounds | Alkaloids | Publications | Show | |
| Theophylline |  InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) | 180.06472552 C7H8N4O2 | N-containing compounds | Alkaloids | Publications | Show |
Related Metabolites
| Name | Structure | Monoisotopic mass/Formula | Family | Class | |||
|---|---|---|---|---|---|---|---|
| 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 | ||
| 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 | ||
| 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 | ||
| 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 | ||
| 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 | ||
| 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 | ||
| 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 |