input word = C00054164

Metabolite InformationStructural formula
Name Acetyl-T2 Toxin
Formula C26H36O10
Mw 508.23084737
CAS RN 21259-21-2
C_ID C00054164
InChIKey NOTOVTQRFFVBSB-VZPCOZJFSA-N
InChICode InChI=1S/C26H36O10/c1-13(2)8-20(30)35-18-10-25(11-31-15(4)27)19(9-14(18)3)36-23-21(33-16(5)28)22(34-17(6)29)24(25,7)26(23)12-32-26/h9,13,18-19,21-23H,8,10-12H2,1-7H3/t18-,19+,21+,22+,23+,24+,25+,26-/m0/s1
SMILES CC(=O)OC[C@]12C[C@H](OC(=O)CC(C)C)C(C)=C[C@H]1O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium graminearum Ref.
FungiNectriaceaeFusarium poae Ref.
FungiNectriaceaeFusarium sporotrichioides Ref.
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OrganismFusarium sporotrichioides
ReferenceBamburg, J.R. et al., Tetrahedron, 1968, 24, 3329-3336 (T2 Toxin, 4,15-di-Ac, isol, struct)