input word = C00059293

Metabolite InformationStructural formula
Name (3beta,5alpha,6alpha,22E)-5,6-Epoxy-3-hydroxyergosta-8,22-dien-7-one
Formula C28H42O3
Mw 426.31339521
CAS RN 115758-72-0
C_ID C00059293
InChIKey FMMTXAYCCGIFHN-MEQAWQDASA-N
InChICode InChI=1S/C28H42O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-21,25,29H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21-,25-,26+,27+,28-/m0/s1
SMILES CC(C)C(C)C=CC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)CC12OC2C3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica charantia Ref.
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