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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 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 ID CHEBI:184974
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H38O21
Net Charge 0
Average Mass 782.657
Monoisotopic Mass 782.19056
InChI InChI=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)
InChIKey VWETXIWJDZXCEP-UHFFFAOYSA-N
SMILES O(C1C(O)C(O)C(OC1OC=2C=C3OC(C4=CC=C(OC5OC(C(O)C(O)C5O)C(O)=O)C=C4)=CC(=O)C3=C(O)C2)COC(=O)C)C6OCC(O)(C6O)CO
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
ChEBI Ontology
Outgoing 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)
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)
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 Xref Database
HMDB0125353 HMDB
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