| Name |
trans-4-Caffeoylquinic acid |
| Formula |
C16H18O9 |
| Mw |
354.09508217 |
| CAS RN |
87099-73-8 |
| C_ID |
C00053843
|
| InChIKey |
GYFFKZTYYAFCTR-JUHZACGLSA-N |
| InChICode |
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
| SMILES |
OC1=C(O)C=CC(/C=C/C(O[C@H]2[C@H](O)C[C@@](C(O)=O)(O)C[C@H]2O)=O)=C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Nicotiana tabacum  | Ref. |
|
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