input word = C00047694

Metabolite InformationStructural formula
Name Aceriphyllic acid D
(+)-Aceriphyllic acid D
Formula C30H46O5
Mw 486.33452458
CAS RN 1174174-27-6
C_ID C00047694 ,
InChIKey ZZWXYBPRSDQAJH-AAUGGUNFNA-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 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(=O)O)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSaxifragaceaeAceriphyllum rossii Ref.
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