| Name |
3-O-Caffeoylshikimic acid |
| Formula |
C16H16O8 |
| Mw |
336.08451749 |
| CAS RN |
6082-44-6 |
| C_ID |
C00054901
|
| InChIKey |
MRDAXWGGWWDUKL-QKNFAMLRSA-N |
| InChICode |
InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-5,7,12-13,15,17-19,21H,6H2,(H,22,23)/b4-2+/t12-,13-,15+/m0/s1 |
| SMILES |
OC1=C(O)C=CC(/C=C/C(O[C@H]2C=C(C(O)=O)C[C@H](O)[C@H]2O)=O)=C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Palmae | Phoenix dactylifera  | Ref. |
|
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