| Name |
Quercetin 3-(2''-caffeylglucuronide) |
| Formula |
C30H24O16 |
| Mw |
640.10643472 |
| CAS RN |
152269-97-1 |
| C_ID |
C00005968
, 
|
| InChIKey |
OWFPENLVOZPLQP-BJZNRGISNA-N |
| InChICode |
InChI=1S/C30H24O16/c31-13-9-18(36)21-19(10-13)43-25(12-3-5-15(33)17(35)8-12)26(22(21)38)45-30-28(24(40)23(39)27(46-30)29(41)42)44-20(37)6-2-11-1-4-14(32)16(34)7-11/h1-10,23-24,27-28,30-36,39-40H,(H,41,42)/b6-2+/t23-,24-,27-,28+,30+/m0/s1 |
| SMILES |
c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)OC(=O)/C=C/c1cc(c(cc1)O)O)c1ccc(c(c1)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Scolymus hispanicus  | Ref. |
|
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