3-acetyldeoxynivalenol
Chemical Formula:
C17H22O7
Molecular Weight:
338.357 Daltons
Monoisotopic Mass:
338.1365530609 Daltons
SMILES:
CC2(C(=O)C(O)C1(CO)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))
InChI:
1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3/t10-,11?,13-,14?,15-,16-,17?/m1/s1
InChIKey:
Synonyms
- 3-ADON
Databases
MetaCyc:
CPD-18419
PubChem (CID):
44715214
ChemSpider:
4572447
MetaNetX:
MNXM164210