input word = C00012604

Metabolite InformationStructural formula
Name [3S-[3alpha,4beta,7bbeta(1S*,2R*)]]-7-(2-Hydroxy-1,4-dimethyl-3-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptan-4-ol
Isotrichodiol
Formula C15H24O3
Mw 252.17254463
CAS RN 130369-84-5
C_ID C00012604 ,
InChIKey YKBWRPUSKGBTDQ-OUWKXVRCNA-N
InChICode InChI=1S/C15H24O3/c1-10-4-6-13(2,12(17)8-10)14(3)7-5-11(16)15(14)9-18-15/h8,11-12,16-17H,4-7,9H2,1-3H3/t11-,12+,13+,14-,15+/m1/s1
SMILES CC1=C[C@H](O)[C@@](C)([C@@]2(C)CC[C@@H](O)[C@@]23CO3)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium culmorum Ref.
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OrganismFusarium culmorum
ReferenceHesketh,J.Chem.Soc.Chem.Commun,(1990),1184