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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

ChEBI IDCHEBI:180765
ChEBI Name6-(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
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H38O23
Net Charge0
Average Mass802.644
Monoisotopic Mass802.18039
SMILESO=C(O)C1OC(Oc2cc(O)c(O)cc2-c2cc(=O)c3c(O)c(C4OC(CO)C(O)C(O)C4O)c(O)c(C4OC(CO)C(O)C(O)C4O)c3o2)C(O)C(O)C1O
InChIInChI=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)
InChIKeyKPNZNXNOXZSMHE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
HMDB0126988HMDB
74886646ChemSpider