input word = C00012636

Metabolite InformationStructural formula
Name (3alpha,4beta,7alpha)12,13-Epoxy-trichothec-9-ene-3,4,7,15-tetrol 4,15-diacetate
Formula C19H26O8
Mw 382.16276781
CAS RN 59121-84-5
C_ID C00012636 ,
InChIKey DXOMWDQITCLYBJ-FJRDSHSDNA-N
InChICode InChI=1S/C19H26O8/c1-9-5-12(22)18(7-24-10(2)20)13(6-9)27-16-14(23)15(26-11(3)21)17(18,4)19(16)8-25-19/h6,12-16,22-23H,5,7-8H2,1-4H3/t12-,13-,14-,15-,16?,17+,18+,19+/m1/s1
SMILES [C@@H]1([C@]2([C@@H](C=C(C1)C)O[C@H]1[C@@]3([C@]2([C@@H]([C@H]1O)OC(=O)C)C)OC3)COC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium spp. Ref.
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OrganismFusarium spp.
ReferenceIshii,Phytochem.,14,(1975),2469