input word = C00012635

Metabolite InformationStructural formula
Name Nivalenol 4,15-diacetate
Nivalenol diacetate
Saubinin I
12,13-Epoxy-3a,4b,7a,15-tetrahydroxytrichothec-9-en-8-one 4,15-diacetate
Formula C19H24O9
Mw 396.14203237
CAS RN 14287-82-2
C_ID C00012635 ,
InChIKey PIHGROVBUUNPDW-FTEULZIONA-N
InChICode InChI=1S/C19H24O9/c1-8-5-11-18(6-25-9(2)20,14(24)12(8)22)17(4)15(27-10(3)21)13(23)16(28-11)19(17)7-26-19/h5,11,13-16,23-24H,6-7H2,1-4H3/t11-,13-,14-,15-,16-,17-,18+,19-/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@@H](OC(C)=O)C2(C)C12CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium equiseti Ref.
FungiNectriaceaeFusarium nivale Ref.
FungiNectriaceaeGibberella saubinetii Ref.
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