input word = C00062837

Metabolite InformationStructural formula
Name (2alpha)-2-Hydroxy-3-oxoolean-12-en-28-oic acid
Formula C30H46O4
Mw 470.33960996
CAS RN 73584-62-0
C_ID C00062837
InChIKey LLLYZDPEYDHSHM-YDWHAKFJSA-N
InChICode InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-22,31H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,27-,28+,29+,30-/m0/s1
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(=O)C(C)(C)C5CCC43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia officinalis Ref.
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