input word = C00043179

Metabolite InformationStructural formula
Name 3,6,9-Trihydroxy-4-megastigmene
Formula C13H24O3
Mw 228.17254463
CAS RN 99810-23-8
C_ID C00043179 ,
InChIKey JZLWGWGGZALHGM-UHFFFAOYNA-N
InChICode InChI=1S/C13H24O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h7,10-11,14-16H,5-6,8H2,1-4H3/t10-,11-,13-/m1/s1
SMILES CC1=CC(O)CC(C)(C)C1(O)CCC(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeChenopodium album Ref.
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OrganismChenopodium album
ReferenceDellaGreca,J.Nat.Prod.,67,(2004),1492