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CHEBI:185210 - 6-[(2-{3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4-(methoxymethyl)phenyl}-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:185210
ChEBI Name6-[(2-{3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4-(methoxymethyl)phenyl}-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O18
Net Charge0
Average Mass670.573
Monoisotopic Mass670.17451
SMILESCOCc1ccc(C2Oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc(O)c3CC2O)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C29H34O18/c1-42-8-10-3-2-9(4-15(10)45-29-22(37)18(33)20(35)25(47-29)27(40)41)23-14(31)7-12-13(30)5-11(6-16(12)44-23)43-28-21(36)17(32)19(34)24(46-28)26(38)39/h2-6,14,17-25,28-37H,7-8H2,1H3,(H,38,39)(H,40,41)
InChIKeyMMIMKFRNPQKXQF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
6-[(2-{3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4-(methoxymethyl)phenyl}-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:185210) is a flavonoids (CHEBI:72544)
6-[(2-{3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4-(methoxymethyl)phenyl}-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:185210) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-[[2-[3-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-4-(methoxymethyl)phenyl]-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0127850HMDB