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2-O-caffeoylglucarate

PropertiesImage
MNX_IDMNXM4299 Image of MNXM4299
referencechebi:58157
formulaC15H14O11
global charge-2
mol weight370.266
InChIKeyOMIXKOJEIRRAJW-CDEBNWADSA-L
InChIInChI=1S/C15H16O11/c16-7-3-1-6(5-8(7)17)2-4-9(18)26-13(15(24)25)11(20)10(19)12(21)14(22)23/h1-5,10-13,16-17,19-21H,(H,22,23)(H,24,25)/p-2/b4-2+/t10-,11-,12-,13+/m0/s1
SMILESO=C(/C=C/C1=CC(O)=C(O)C=C1)O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C15H16O11/c16-7-3-1-6(5-8(7)17)2-4-9(18)26-13(15(24)25)11(20)10(19)12(21)14(22)23/h1-5,10-13,16-17,19-21H,(H,22,23)(H,24,25)/b4-2+/t10-,11-,12-,13+/m0/s1 Image of MNXM4299
SMILES (mnx)[CH:1]1=[CH:3][C:7]([OH:16])=[C:8]([OH:17])[CH:5]=[C:6]1/[CH:2]=[CH:4]/[C:9](=[O:18])[O:26][C@H:13]([C@H:11]([C@@H:10]([C@@H:12]([C:14](=[O:22])[OH:23])[OH:21])[OH:19])[OH:20])[C:15](=[O:24])[OH:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58157
chebi:58157
OMIXKOJEIRRAJW-CDEBNWADSA-L 		2-O-caffeoylglucarate
2-O-[3-(3,4-dihydroxyphenyl)prop-2-enoyl]-D-glucarate
2-O-caffeoylglucarate dianion
2-O-caffeoylglucarate(2-)

kegg.compound:C03062
keggC:C03062
OMIXKOJEIRRAJW-CDEBNWADSA-N 		2-O-Caffeoylglucarate

seed.compound:cpd01959
seedM:cpd01959
OMIXKOJEIRRAJW-CDEBNWADSA-L 		2-O-Caffeoylglucarate
2-O-caffeoylglucarate

metacyc.compound:2-O-CAFFEOYLGLUCARATE
metacycM:2-O-CAFFEOYLGLUCARATE
OMIXKOJEIRRAJW-CDEBNWADSA-L 		2-O-caffeoylglucarate

CHEBI:17470
chebi:17470
OMIXKOJEIRRAJW-CDEBNWADSA-N 		2-O-caffeoylglucaric acid
2-O-Caffeoylglucarate
2-O-[3-(3,4-dihydroxyphenyl)prop-2-enoyl]-D-glucaric acid
2-O-caffeoylglucarate

chebi:11484
chebi:1227
chebi:19429
keggC:M_C03062
seedM:M_cpd01959 		secondary/obsolete/fantasy identifier