deoxynogalonate
Chemical Formula:
C20H15O7
Molecular Weight:
367.334 Daltons
Monoisotopic Mass:
368.0896028683 Daltons
SMILES:
CC(=O)CC(=O)C1(C(CC([O-])=O)=CC2(=C(C(O)=1)C(=O)C3(=C(C2)C=CC=C(O)3)))
InChI:
1S/C20H16O7/c1-9(21)5-14(23)17-12(8-15(24)25)7-11-6-10-3-2-4-13(22)16(10)19(26)18(11)20(17)27/h2-4,7,22,27H,5-6,8H2,1H3,(H,24,25)/p-1
InChIKey:
Synonyms
- 12-deoxynogalonic acid
- [4,5-dihydroxy-10-oxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetate
- 12-deoxynogalonate
Databases
MetaCyc:
CPD-17516
ChEBI:
84900
PubChem (CID):
90659895
Seed:
cpd19892
MetaNetX:
MNXM9681
KEGG:
C18629