input word = C00012648

Metabolite InformationStructural formula
Name Trichodermadiene
[4beta[2Z,4E,5(2R,3R)]]-12,13-Epoxy-trichothec-9-en-4-ol 5-(3-methyloxiranyl)-2,4-pentadienoate
Formula C23H30O5
Mw 386.20932407
CAS RN 75323-72-7
C_ID C00012648 ,
InChIKey TWNZVTVBOFBEQD-CMDKMUHNNA-N
InChICode InChI=1S/C23H30O5/c1-14-9-10-21(3)17(11-14)27-19-12-18(22(21,4)23(19)13-25-23)28-20(24)8-6-5-7-16-15(2)26-16/h5-8,11,15-19H,9-10,12-13H2,1-4H3/b7-5+,8-6+/t15-,16-,17-,18-,19-,21+,22-,23+/m1/s1
SMILES CC1=CC2OC3CC(OC(=O)C=CC=CC4OC4C)C(C)(C34CO4)[C@@]2(C)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisMyrothecium verrucaria Ref.
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OrganismMyrothecium verrucaria
ReferenceGodtfredsen,Acta Chem.Scand.,19,(1965),1088

Jarvis,Tetrahedron Lett.,(1980),787

Jarvis,J.Org.Chem.,47,(1982),1117