input word = C00007515

Metabolite InformationStructural formula
Name (5alpha,24R)-Ergostan-3-one
Formula C29H50O
Mw 414.38616622
CAS RN 151676-47-0
C_ID C00007515 ,
InChIKey WOVIRZFRRNEFES-UXWBHOGYNA-N
InChICode InChI=1S/C29H50O/c1-19(2)20(3)8-9-21(4)24-13-16-29(7)26-11-10-22-18-23(30)12-15-27(22,5)25(26)14-17-28(24,29)6/h19-22,24-26H,8-18H2,1-7H3/t20-,21-,22+,24-,25+,26-,27-,28-,29+/m1/s1
SMILES CC(C)[C@H](C)CC[C@@H](C)C1CC[C@@]2(C)[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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