12-deoxyaklanoate
Chemical Formula:
C21H17O7
Molecular Weight:
381.361 Daltons
Monoisotopic Mass:
382.1052529325 Daltons
SMILES:
CCC(=O)CC(=O)C1(=C(CC([O-])=O)C=C2(C(=C(O)1)C(=O)C3(=C(C2)C=CC=C(O)3)))
InChI:
1S/C21H18O7/c1-2-13(22)9-15(24)18-12(8-16(25)26)7-11-6-10-4-3-5-14(23)17(10)20(27)19(11)21(18)28/h3-5,7,23,28H,2,6,8-9H2,1H3,(H,25,26)/p-1
InChIKey:
Synonyms
- aklanonic acid anthrone
- [4,5-dihydroxy-10-oxo-3-(3-oxopentanoyl)-9H-anthracen-2-yl]acetate
Databases
MetaCyc:
CPD-15771
PubChem (CID):
122706281
Seed:
cpd09172
ChEBI:
31054
MetaNetX:
MNXM8013
KEGG:
C12420