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CHEBI:184760 - 6-{[1-(2-{[3-(3,4-dimethoxyphenyl)-1-hydroxypropylidene]amino}ethyl)-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:184760
ChEBI Name6-{[1-(2-{[3-(3,4-dimethoxyphenyl)-1-hydroxypropylidene]amino}ethyl)-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H33NO12
Net Charge0
Average Mass551.545
Monoisotopic Mass551.20028
SMILESCOC1=CC(CCNC(=O)CCc2ccc(OC)c(OC)c2)(OC2OC(C(=O)O)C(O)C(O)C2O)C=CC1=O
InChIInChI=1S/C26H33NO12/c1-35-16-6-4-14(12-17(16)36-2)5-7-19(29)27-11-10-26(9-8-15(28)18(13-26)37-3)39-25-22(32)20(30)21(31)23(38-25)24(33)34/h4,6,8-9,12-13,20-23,25,30-32H,5,7,10-11H2,1-3H3,(H,27,29)(H,33,34)
InChIKeyYMZXWXSCQGLLLQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
6-{[1-(2-{[3-(3,4-dimethoxyphenyl)-1-hydroxypropylidene]amino}ethyl)-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:184760) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-[1-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0135517HMDB