CHEBI:180765 - 6-(2-{5,7-dihydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}-4,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI Name 6-(2-{5,7-dihydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}-4,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:180765
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ChemicalBook:CB3167375, ChemicalBook:CB4183426, eMolecules:494487, ZINC000000899824
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Formula C33H38O23
Net Charge 0
Average Mass 802.644
Monoisotopic Mass 802.18039
InChI InChI=1S/C33H38O23/c34-4-12-17(39)21(43)24(46)29(53-12)15-19(41)14-9(38)3-10(52-28(14)16(20(15)42)30-25(47)22(44)18(40)13(5-35)54-30)6-1-7(36)8(37)2-11(6)55-33-27(49)23(45)26(48)31(56-33)32(50)51/h1-3,12-13,17-18,21-27,29-31,33-37,39-49H,4-5H2,(H,50,51)
InChIKey KPNZNXNOXZSMHE-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1CO)C=2C(O)=C(C3OC(C(O)C(O)C3O)CO)C(O)=C4C2OC(=CC4=O)C=5C(OC6OC(C(O)C(O)C6O)C(O)=O)=CC(O)=C(O)C5
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133).
ChEBI Ontology
Outgoing 6-(2-{5,7-dihydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}-4,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:180765) is a C-glycosyl compound (CHEBI:20857)
6-(2-{5,7-dihydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}-4,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:180765) is a flavonoids (CHEBI:72544)
IUPAC Name
6-[2-[5,7-dihydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]-4,5-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xrefs Databases
74886646 ChemSpider
HMDB0126988 HMDB
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