nivalenol
Chemical Formula:
C15H20O7
Molecular Weight:
312.319 Daltons
Monoisotopic Mass:
312.1209029967 Daltons
SMILES:
CC2(C(=O)C(O)C1(CO)(C4(C(O)C(O)C(OC1C=2)C3(OC3)4)(C)))
InChI:
1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3/t7?,9-,10-,11-,12?,13-,14-,15?/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-18427
PubChem (CID):
102515211
ChEBI:
7599
ChemSpider:
29515
KNApSAcK:
C00003167
Seed:
cpd03623
HMDB:
HMDB04304
MetaNetX:
MNXM12470
KEGG:
C06080