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CHEBI:196409 - Gossypetin 3-glucuronide-8-glucoside

ChEBI IDCHEBI:196409
ChEBI NameGossypetin 3-glucuronide-8-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O19
Net Charge0
Average Mass656.502
Monoisotopic Mass656.12248
SMILESO=C(O)C1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(O)cc(O)c3c2=O)C(O)C(O)[C@@H]1O
InChIInChI=1S/C27H28O19/c28-5-11-13(33)15(35)18(38)26(42-11)44-21-10(32)4-9(31)12-14(34)23(20(43-22(12)21)6-1-2-7(29)8(30)3-6)45-27-19(39)16(36)17(37)24(46-27)25(40)41/h1-4,11,13,15-19,24,26-33,35-39H,5H2,(H,40,41)/t11?,13-,15+,16?,17+,18?,19?,24?,26+,27-/m1/s1
InChIKeyOQGHLKIINJRWAG-IGCQMJPPSA-N
ChEBI Ontology
Outgoing Relation(s)
Gossypetin 3-glucuronide-8-glucoside (CHEBI:196409) is a flavonoids (CHEBI:72544)
Gossypetin 3-glucuronide-8-glucoside (CHEBI:196409) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(3S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-8-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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