input word = C00047698

Metabolite InformationStructural formula
Name Aceriphyllic acid H
(+)-Aceriphyllic acid H
Formula C32H48O6
Mw 528.34508926
CAS RN 1174174-31-2
C_ID C00047698 ,
InChIKey UFBADNGLONOAHT-PDAVEKHANA-N
InChICode InChI=1S/C32H48O6/c1-19(33)38-24-11-12-29(4)22-9-8-20-21-18-28(3,25(34)35)15-14-27(21,2)16-17-30(20,5)31(22,6)13-10-23(29)32(24,7)26(36)37/h8,21-24H,9-18H2,1-7H3,(H,34,35)(H,36,37)/t21-,22+,23+,24+,27+,28+,29+,30+,31+,32-/m0/s1
SMILES CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]23C)[C@]1(C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSaxifragaceaeAceriphyllum rossii Ref.
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