input word = C00060676

Metabolite InformationStructural formula
Name (3beta,5alpha,22S)-Cholestane-3,22-diol
Formula C27H48O2
Mw 404.36543078
CAS RN 20117-28-6
C_ID C00060676
InChIKey IPYACDRNRIVGLI-DMUCZSEVSA-N
InChICode InChI=1S/C27H48O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h17-25,28-29H,6-16H2,1-5H3/t18-,19-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
SMILES CC(C)CCC(O)C(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum lycopersicum Ref.
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