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CHEBI:189041 - 3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxyphenyl)-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:189041
ChEBI Name3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxyphenyl)-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H38O21
Net Charge0
Average Mass770.646
Monoisotopic Mass770.19056
SMILESO=C(O)C1OC(Oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c3c(=O)cc(-c4cccc(O)c4)oc3c2C2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C33H38O21/c34-6-12-17(38)20(41)23(44)29(51-12)15-19(40)14-10(37)5-11(8-2-1-3-9(36)4-8)50-27(14)16(30-24(45)21(42)18(39)13(7-35)52-30)28(15)53-33-26(47)22(43)25(46)31(54-33)32(48)49/h1-5,12-13,17-18,20-26,29-31,33-36,38-47H,6-7H2,(H,48,49)
InChIKeyNJXJIGBLAUPGEX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Anopheles sinensis (ncbitaxon:74873) Whole Organism (NCIT:C13413) Article
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxyphenyl)-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid (CHEBI:189041) is a flavonoids (CHEBI:72544)
3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxyphenyl)-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid (CHEBI:189041) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3,4,5-trihydroxy-6-[5-hydroxy-2-(3-hydroxyphenyl)-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl]oxyoxane-2-carboxylic acid
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HMDB0126962HMDB