input word = C00047695

Metabolite InformationStructural formula
Name Aceriphyllic acid E
(+)-Aceriphyllic acid E
Formula C30H48O4
Mw 472.35526002
CAS RN 1174174-28-7
C_ID C00047695 ,
InChIKey VVWRIMSHBALFKN-JZNUSVQGNA-N
InChICode InChI=1S/C30H48O4/c1-25-13-14-26(2,24(33)34)17-20(25)19-7-8-22-27(3)11-10-23(32)28(4,18-31)21(27)9-12-30(22,6)29(19,5)16-15-25/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,25+,26+,27-,28-,29+,30+/m0/s1
SMILES C12=CC[C@H]3[C@]([C@@]1(CC[C@@]1([C@H]2C[C@](CC1)(C)C(=O)O)C)C)(CC[C@@H]1[C@@]3(CC[C@@H]([C@@]1(C)CO)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSaxifragaceaeAceriphyllum rossii Ref.
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