input word = C00012642

Metabolite InformationStructural formula
Name Anguidol
Scirpenetriol
Scirpenol
Scirpentriol
12,13-Epoxy-trichothec-9-ene-3alpha,4beta,15-triol
Formula C15H22O5
Mw 282.14672381
CAS RN 2270-41-9
C_ID C00012642 ,
InChIKey PXEBOIUZEXXBGH-MFXQZGOJNA-N
InChICode InChI=1S/C15H22O5/c1-8-3-4-14(6-16)9(5-8)20-12-10(17)11(18)13(14,2)15(12)7-19-15/h5,9-12,16-18H,3-4,6-7H2,1-2H3/t9-,10-,11-,12-,13-,14-,15+/m1/s1
SMILES CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)C(C)(C34CO4)[C@@]2(CO)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium equiseti Ref.
FungiNectriaceaeFusarium roseum Ref.
FungiNectriaceaeFusarium sporotrichiella Ref.
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