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CHEBI:188095 - 8-Hydroxyluteolin 8,4'-diglucuronide

ChEBI IDCHEBI:188095
ChEBI Name8-Hydroxyluteolin 8,4'-diglucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H26O19
Net Charge0
Average Mass654.486
Monoisotopic Mass654.10683
SMILESO=C(O)C1O[C@@H](Oc2ccc(-c3cc(=O)c4c(O)cc(O)c(O[C@@H]5OC(C(=O)O)[C@@H](O)[C@H](O)C5O)c4o3)cc2O)C(O)C(O)[C@@H]1O
InChIInChI=1S/C27H26O19/c28-7-3-6(1-2-11(7)43-26-18(36)14(32)16(34)22(45-26)24(38)39)12-5-9(30)13-8(29)4-10(31)20(21(13)42-12)44-27-19(37)15(33)17(35)23(46-27)25(40)41/h1-5,14-19,22-23,26-29,31-37H,(H,38,39)(H,40,41)/t14?,15-,16-,17-,18?,19?,22?,23?,26+,27+/m0/s1
InChIKeyXHVVBGONQXFUQF-MABFACSJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
8-Hydroxyluteolin 8,4'-diglucuronide (CHEBI:188095) is a flavonoids (CHEBI:72544)
8-Hydroxyluteolin 8,4'-diglucuronide (CHEBI:188095) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(3S,6S)-6-[4-[8-[(2S,4S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-4-oxochromen-2-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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