input word = C00035979

Metabolite InformationStructural formula
Name 8-beta-Acetoxyhysterone C
(+)-8-beta-Acetoxyhysterone C
Formula C17H24O7
Mw 340.15220312
CAS RN 86035-55-4
C_ID C00035979 ,
InChIKey SSPJXSLTNGJRDQ-JPXORTIZNA-N
InChICode InChI=1S/C19H35ClN2O6/c1-19(2,3)28-17-16(25)15(24)14(23)13(27-17)11-22(18(26)21-10-9-20)12-7-5-4-6-8-12/h12-17,23-25H,4-11H2,1-3H3,(H,21,26)/t13-,14-,15+,16-,17+/m1/s1
SMILES CC(C)(C)OC1O[C@H](CN(C(=O)NCCCl)C2CCCCC2)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeParthenium hysterophorus Ref.
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