What's in a cup of coffee?
Water, Caffeine, Chlorogenic acid, Sucrose, Glucose, Fructose, Quinic acid, Citric acid, Acetic acid, Potassium ion, Magnesium ion, Calcium ion, trigonelline, Nicotinic acid, Melanoidins, Theobromine, Catechin, N-methylpyridinium, Furfuryl alcohol, Guaiacol, 2-Furfurylthiol, Pyridine, Acetaldehyde, Kahweol, Cafestol, Ascorbic acid, Riboflavin, Thiamin, Phosphate, Sodium ion, Iron ion, Zinc ion, Manganese ion, Copper ion, Cellulose, Pectin, Starch, Triglycerides, Palmitic acid, Linoleic acid, Oleic acid, Stearic acid, Diterpenes, β-Carotene, Tocopherol, Folate, Lactic acid, Malic acid, Tannins, Anthocyanins, Quercetin, Pyrazine, Pyrrole, Dimethyl sulfide, Methanethiol
| Compound | Formula | SMILES |
|---|
| Water |
|
O |
| Caffeine |
|
CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
| Chlorogenic acid |
|
C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O |
| Sucrose |
|
OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
| Glucose |
|
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O |
| Fructose |
|
C1[C@H]([C@H]([C@@H](C(O1)(CO)O)O)O)O |
| Quinic acid |
|
O=C(O)[C@H]1[C@@H](O)[C@@H](O)[C@H](O)C[C@H]1O |
| Citric acid |
|
C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| Acetic acid |
|
CC(=O)O |
| Potassium ion |
|
[K+] |
| Magnesium ion |
|
[Mg+2] |
| Calcium ion |
|
[Ca+2] |
| trigonelline |
|
C[N+]1=CC=CC(=C1)C(=O)[O-] |
| Nicotinic acid |
|
OC(=O)c1cccnc1 |
| Melanoidins |
|
|
| Theobromine |
|
CN1C=NC2=C1C(=O)NC(=O)N2C |
| Catechin |
|
C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
| N-methylpyridinium |
|
C[n+]1ccccc1 |
| Furfuryl alcohol |
|
OCc1ccco1 |
| Guaiacol |
|
COC1=CC=CC=C1O |
| 2-Furfurylthiol |
|
C1=COC(=C1)CS |
| Pyridine |
|
c1ccncc1 |
| Acetaldehyde |
|
CC=O |
| Kahweol |
|
|
| Cafestol |
|
|
| Ascorbic acid |
|
C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O |
| Riboflavin |
|
|
| Thiamin |
|
|
| Phosphate |
|
|
| Sodium ion |
|
[Na+] |
| Iron ion |
|
|
| Zinc ion |
|
|
| Manganese ion |
|
|
| Copper ion |
|
[Cu+2] |
| Cellulose |
|
|
| Pectin |
|
[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O |
| Starch |
|
|
| Triglycerides |
|
|
| Palmitic acid |
|
CCCCCCCCCCCCCCCC(=O)O |
| Linoleic acid |
|
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O |
| Oleic acid |
|
CCCCCCCC/C=C\CCCCCCCC(=O)O |
| Stearic acid |
|
CCCCCCCCCCCCCCCCCC(=O)O |
| Diterpenes |
|
|
| β-Carotene |
|
CC1=C(C)C=C(C=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C)C(C)(C)C1 |
| Tocopherol |
|
|
| Folate |
|
C1=CC(=CC=C1C(=O)N[C@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N |
| Lactic acid |
|
CC(C(=O)O)O |
| Malic acid |
|
OC(=O)CC(O)C(=O)O |
| Tannins |
|
|
| Anthocyanins |
|
C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2 |
| Quercetin |
|
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 |
| Pyrazine |
|
C1=CN=CC=N1 |
| Pyrrole |
|
C1=CNC=C1 |
| Dimethyl sulfide |
|
CSC |
| Methanethiol |
|
CS |
source: ai · model: GPT-5 · first answered: 2026-08-29 15:47:11
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