input word = C00012640

Metabolite InformationStructural formula
Name Deacetyl HT 2 toxin
T 2 triol
Toxin T 2 triol
Toxin T 3
12,13-Epoxy-trichothec-9-ene-3alpha,4beta,8alpha,15-tetrol 8-isovalerate
Formula C20H30O7
Mw 382.19915331
CAS RN 34114-98-2
C_ID C00012640 ,
InChIKey DDAUKBBLCGQHIP-CPXHZSIKNA-N
InChICode InChI=1S/C20H30O7/c1-10(2)5-14(22)26-12-7-19(8-21)13(6-11(12)3)27-17-15(23)16(24)18(19,4)20(17)9-25-20/h6,10,12-13,15-17,21,23-24H,5,7-9H2,1-4H3/t12-,13+,15+,16+,17?,18+,19+,20+/m0/s1
SMILES CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)C(C)(C34CO4)[C@@]2(CO)C[C@@H]1OC(=O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium sporotrichiella Ref.
FungiNectriaceaeFusarium sporotrichioides Ref.
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