4-acetylnivalenol
Chemical Formula:
C17H22O8
Molecular Weight:
354.356 Daltons
Monoisotopic Mass:
354.131467683 Daltons
SMILES:
CC2(C(=O)C(O)C1(CO)(C4(C(OC(C)=O)C(O)C(OC1C=2)C3(OC3)4)(C)))
InChI:
1S/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3/t9?,11-,12-,13-,14?,15-,16-,17?/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-18426
PubChem (CID):
102515408
MetaNetX:
MNXM164284