| Name |
5-O-Sinapoylquinic acid |
| Formula |
C18H22O10 |
| Mw |
398.12129692 |
| CAS RN |
72880-79-6 |
| C_ID |
C00062816
|
| InChIKey |
DTJWTKVKHOJHJK-ASALUKJANA-N |
| InChICode |
InChI=1/C18H22O10/c1-26-11-5-9(6-12(27-2)16(11)22)3-4-14(20)28-13-8-18(25,17(23)24)7-10(19)15(13)21/h3-6,10,13,15,19,21-22,25H,7-8H2,1-2H3,(H,23,24)/t10-,13-,15-,18+/s2 |
| SMILES |
COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Caffea sp. | Ref. |
|
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