| Name |
3,5-Dicaffeoyl-4-succinoylquinic acid |
| Formula |
C29H28O15 |
| Mw |
616.14282023 |
| CAS RN |
179761-31-0 |
| C_ID |
C00054557
|
| InChIKey |
DNZQDZDGNZZGCU-WDDIIZOCSA-N |
| InChICode |
InChI=1S/C29H28O15/c30-17-5-1-15(11-19(17)32)3-8-24(36)42-21-13-29(41,28(39)40)14-22(27(21)44-26(38)10-7-23(34)35)43-25(37)9-4-16-2-6-18(31)20(33)12-16/h1-6,8-9,11-12,21-22,27,30-33,41H,7,10,13-14H2,(H,34,35)(H,39,40)/b8-3+,9-4+/t21-,22-,27-,29+/m1/s1 |
| SMILES |
OC1=C(O)C=C(/C=C/C(O[C@H]2[C@H](OC(CCC(O)=O)=O)[C@H](OC(/C=C/C3=CC=C(O)C(O)=C3)=O)C[C@](C(O)=O)(O)C2)=O)C=C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Chrysanthemum coronarium  | Ref. |
|
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