nogalonate
Chemical Formula:
C20H13O8
Molecular Weight:
381.318 Daltons
Monoisotopic Mass:
382.0688674262 Daltons
SMILES:
CC(=O)CC(=O)C1(C(CC([O-])=O)=CC2(=C(C(O)=1)C(=O)C3(=C(C(=O)2)C=CC=C(O)3)))
InChI:
1S/C20H14O8/c1-8(21)5-13(23)15-9(7-14(24)25)6-11-17(19(15)27)20(28)16-10(18(11)26)3-2-4-12(16)22/h2-4,6,22,27H,5,7H2,1H3,(H,24,25)/p-1
InChIKey:
Synonyms
- [4,5-dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetate
- nogalonic acid
Databases
MetaCyc:
CPD-17517
PubChem (CID):
91820451
Seed:
cpd09168
MetaNetX:
MNXM8943
KEGG:
C12416