| Name |
Phytolaccagenic acid |
| Formula |
C31H48O6 |
| Mw |
516.34508926 |
| CAS RN |
54928-05-1 |
| C_ID |
C00057435
|
| InChIKey |
YAGYBNOEVSEGSL-HGDAMUQJSA-N |
| InChICode |
InChI=1S/C31H48O6/c1-26(25(36)37-6)13-15-31(24(34)35)16-14-29(4)19(20(31)17-26)7-8-22-27(2)11-10-23(33)28(3,18-32)21(27)9-12-30(22,29)5/h7,20-23,32-33H,8-18H2,1-6H3,(H,34,35)/t20-,21+,22+,23-,26-,27-,28-,29+,30+,31-/m0/s1 |
| SMILES |
C[C@](C[C@@]1([H])C2=CC[C@]3([H])[C@@](CC[C@H](O)[C@]4(CO)C)([C@@]4([H])CC[C@]35C)C)(C(OC)=O)CC[C@]1(C(O)=O)CC[C@]25C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Phytolaccaceae | Phytolacca americana  | Ref. |
|
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