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CHEBI:184974 - 6-{4-[7-({6-[(acetyloxy)methyl]-3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl}oxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:184974
ChEBI Name6-{4-[7-({6-[(acetyloxy)methyl]-3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl}oxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H38O21
Net Charge0
Average Mass782.657
Monoisotopic Mass782.19056
SMILESCC(=O)OCC1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(OC5OC(C(=O)O)C(O)C(O)C5O)cc4)oc3c2)C(OC2OCC(O)(CO)C2O)C(O)C1O
InChIInChI=1S/C34H38O21/c1-12(36)48-9-20-22(39)24(41)28(55-33-29(44)34(47,10-35)11-49-33)32(53-20)51-15-6-16(37)21-17(38)8-18(52-19(21)7-15)13-2-4-14(5-3-13)50-31-26(43)23(40)25(42)27(54-31)30(45)46/h2-8,20,22-29,31-33,35,37,39-44,47H,9-11H2,1H3,(H,45,46)
InChIKeyVWETXIWJDZXCEP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
6-{4-[7-({6-[(acetyloxy)methyl]-3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl}oxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:184974) is a flavonoids (CHEBI:72544)
6-{4-[7-({6-[(acetyloxy)methyl]-3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl}oxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:184974) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
6-[4-[7-[6-(acetyloxymethyl)-3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0125353HMDB