input word = C00047693

Metabolite InformationStructural formula
Name Aceriphyllic acid C
(+)-Aceriphyllic acid C
Formula C30H46O5
Mw 486.33452458
CAS RN 1174174-26-5
C_ID C00047693 ,
InChIKey ZZWXYBPRSDQAJH-YEXOQUKFNA-N
InChICode InChI=1S/C30H46O5/c1-25-13-14-26(2,23(32)33)17-19(25)18-7-8-20-27(3)11-10-22(31)30(6,24(34)35)21(27)9-12-29(20,5)28(18,4)16-15-25/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/t19-,20+,21+,22+,25+,26+,27+,28+,29+,30-/m0/s1
SMILES C[C@@]1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSaxifragaceaeAceriphyllum rossii Ref.
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