input word = C00052704

Metabolite InformationStructural formula
Name 5,6-Epoxy-9-hydroxy-7-megastigmen-3-one
4,5-Dihydroblumenol A
Formula C13H22O3
Mw 226.15689457
CAS RN 155418-97-6
C_ID C00052704
InChIKey IHDJYDVWNNFPHR-CHESLIBASA-N
InChICode InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-10,14,16H,7-8H2,1-4H3/b6-5+/t9-,10-,13-/m1/s1
SMILES C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
PlantaeEuphorbiaceaeEuphorbia helioscopia Ref.
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OrganismEuphorbia helioscopia
ReferenceZhang, W. et al., Chem. Pharm. Bull. 54, (2006), 1037-1039.