input word = C00047696

Metabolite InformationStructural formula
Name Aceriphyllic acid F
(+)-Aceriphyllic acid F
Formula C32H48O6
Mw 528.34508926
CAS RN 1174174-29-8
C_ID C00047696 ,
InChIKey DFNMEZDDQABOQT-BZPJAXECNA-N
InChICode InChI=1S/C32H48O6/c1-19(33)38-24-11-12-29(5)22-9-8-20-21-18-27(2,3)14-15-28(21,4)16-17-32(20,26(36)37)30(22,6)13-10-23(29)31(24,7)25(34)35/h8,21-24H,9-18H2,1-7H3,(H,34,35)(H,36,37)/t21-,22+,23+,24+,28+,29+,30+,31-,32+/m0/s1
SMILES C12=CC[C@H]3[C@]([C@@]1(CC[C@@]1([C@H]2CC(CC1)(C)C)C)C(=O)O)(CC[C@@H]1[C@@]3(CC[C@H]([C@]1(C(=O)O)C)OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSaxifragaceaeAceriphyllum rossii Ref.
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