input word = C00064117

Metabolite InformationStructural formula
Name 30-Norlupan-3beta-ol-20-one
3beta-Hydroxy-30-norlupan-20-one
Formula C29H48O2
Mw 428.36543078
CAS RN 19891-85-1
C_ID C00064117
InChIKey RCXANGLYPFOYKX-XJJQXQETSA-N
InChICode InChI=1S/C29H48O2/c1-18(30)19-10-13-26(4)16-17-28(6)20(24(19)26)8-9-22-27(5)14-12-23(31)25(2,3)21(27)11-15-29(22,28)7/h19-24,31H,8-17H2,1-7H3/t19-,20+,21-,22+,23-,24+,26+,27-,28+,29+/m0/s1
SMILES CC(=O)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia roborowskii Ref.
PlantaeLythraceaeLawsonia alba Ref.
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