input word = C00012663

Metabolite InformationStructural formula
Name Trichodermadienediol A
[4beta(2Z,4E,6S,7S)]-12,13-Epoxy-trichothec-9-en-4-ol 6,7-dihydroxy-2,4-octadienoate
Formula C23H32O6
Mw 404.21988875
CAS RN 76740-74-4
C_ID C00012663 ,
InChIKey MUIQEOKJENXWJC-ZGPZEILUNA-N
InChICode InChI=1S/C23H32O6/c1-14-9-10-21(3)17(11-14)28-19-12-18(22(21,4)23(19)13-27-23)29-20(26)8-6-5-7-16(25)15(2)24/h5-8,11,15-19,24-25H,9-10,12-13H2,1-4H3/b7-5+,8-6-/t15-,16+,17+,18+,19+,21-,22+,23+/m0/s1
SMILES CC1=CC2OC3C[C@@H](OC(=O)C=CC=CC(O)C(C)O)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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