| Name |
1-O-Methyl-3,5-O-dicaffeoyl quinic acid methyl ester |
| Formula |
C27H28O12 |
| Mw |
544.15807636 |
| CAS RN |
409361-62-2 |
| C_ID |
C00050653
|
| InChIKey |
FWCIDTSESUHJFE-FYOODVSHSA-N |
| InChICode |
InChI=1S/C27H28O12/c1-36-26(35)27(37-2)13-21(38-23(32)9-5-15-3-7-17(28)19(30)11-15)25(34)22(14-27)39-24(33)10-6-16-4-8-18(29)20(31)12-16/h3-12,21-22,25,28-31,34H,13-14H2,1-2H3/b9-5+,10-6+/t21-,22-,25-,27+/m1/s1 |
| SMILES |
OC1=C(O)C=CC(/C=C/C(O[C@@H]2C[C@@](OC)(C(OC)=O)C[C@@H](OC(/C=C/C3=CC=C(O)C(O)=C3)=O)[C@@H]2O)=O)=C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Erigeron breviscapus  | Ref. |
|
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