| Name |
3,5-Di-O-caffeoyl-4-O-coumaroylquinic acid
(-)-3,5-Di-O-caffeoyl-4-O-coumaroylquinic acid |
| Formula |
C34H30O14 |
| Mw |
662.16355567 |
| CAS RN |
854049-02-8 |
| C_ID |
C00042110
, 
|
| InChIKey |
JUAREVOIBUFAFJ-ZEQFOSDWNA-N |
| InChICode |
InChI=1S/C34H30O14/c35-22-8-1-19(2-9-22)5-12-31(42)48-32-27(46-29(40)13-6-20-3-10-23(36)25(38)15-20)17-34(45,33(43)44)18-28(32)47-30(41)14-7-21-4-11-24(37)26(39)16-21/h1-16,27-28,32,35-39,45H,17-18H2,(H,43,44)/b12-5+,13-6+,14-7+/t27-,28-,32-,34+/m1/s1 |
| SMILES |
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1OC(=O)/C=C/c1ccc(O)cc1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
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| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea pescarae | Ref. |
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