input word = C00054510

Metabolite InformationStructural formula
Name 15-Acetoxy-12,13-epoxy-3,7-dihydroxy-9-trichothecen-8-one.
Formula C17H22O7
Mw 338.13655306
CAS RN 88337-96-6
C_ID C00054510
InChIKey IDGRYIRJIFKTAN-HTJQZXIKSA-N
InChICode InChI=1S/C17H22O7/c1-8-4-11-16(6-22-9(2)18,13(21)12(8)20)15(3)5-10(19)14(24-11)17(15)7-23-17/h4,10-11,13-14,19,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1
SMILES CC(=O)OC[C@]12[C@H](O)C(=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)C[C@@]2(C)[C@]12CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium graminearum Ref.
FungiNectriaceaeGibberella zeae Ref.
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OrganismFusarium graminearum
ReferenceGreenhalgh, R. et al., J. Agric. Food Chem., 1984, 32, 1261 (isol, deriv)