input word = C00063338

Metabolite InformationStructural formula
Name 3-Oxo-7beta-hydroxyglycyrrhetinic acid
Formula C30H44O5
Mw 484.31887452
CAS RN 906816-46-4
C_ID C00063338
InChIKey ZKKYLKFYKWOADW-XLWNCKIFSA-N
InChICode InChI=1S/C30H44O5/c1-25(2)20-15-22(33)30(7)23(28(20,5)9-8-21(25)32)19(31)14-17-18-16-27(4,24(34)35)11-10-26(18,3)12-13-29(17,30)6/h14,18,20,22-23,33H,8-13,15-16H2,1-7H3,(H,34,35)/t18-,20-,22-,23+,26+,27-,28-,29+,30+/m0/s1
SMILES CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(=O)C(C)(C)C5CC(O)C43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza inflata Ref.
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