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12-Deoxyaklanonic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM8013

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₁H₁₈O₇

charge

mass

382.10525

reference

InChIKey

GOOWFUBMXUJYPR-UHFFFAOYSA-N

InChI

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)

SMILES

CCC(=O)CC(=O)c1c(CC(=O)O)cc2c(c1O)C(=O)c1c(O)cccc1C2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:31054 chebi:31054 kegg.compound:C12420 keggC:C12420	12-Deoxyaklanonic acid
seed.compound:cpd09172 seedM:cpd09172	12-Deoxyaklanonic acid 12-deoxyaklanoate [4,5-dihydroxy-10-oxo-3-(3-oxopentanoyl)-9H-anthracen-2-yl]acetate aklanonic acid anthrone
metacyc.compound:CPD-15771 metacycM:CPD-15771	12-deoxyaklanoate [4,5-dihydroxy-10-oxo-3-(3-oxopentanoyl)-9H-anthracen-2-yl]acetate aklanonic acid anthrone
keggC:M_C12420 seedM:M_cpd09172	secondary/obsolete/fantasy identifier