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CHEBI:166627 - Gossypetin 8-glucoside-3-sulfate

ChEBI IDCHEBI:166627
ChEBI NameGossypetin 8-glucoside-3-sulfate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O16S
Net Charge0
Average Mass560.442
Monoisotopic Mass560.04721
SMILESO=c1c(OS(=O)(=O)O)c(-c2ccc(O)c(O)c2)oc2c(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)cc(O)c12
InChIInChI=1S/C21H20O16S/c22-5-11-13(27)15(29)16(30)21(34-11)36-18-10(26)4-9(25)12-14(28)20(37-38(31,32)33)17(35-19(12)18)6-1-2-7(23)8(24)3-6/h1-4,11,13,15-16,21-27,29-30H,5H2,(H,31,32,33)/t11?,13-,15+,16?,21+/m1/s1
InChIKeyDMAOYRIREVHKFQ-DLBNBXSVSA-N
ChEBI Ontology
Outgoing Relation(s)
Gossypetin 8-glucoside-3-sulfate (CHEBI:166627) is a flavonoids (CHEBI:72544)
Gossypetin 8-glucoside-3-sulfate (CHEBI:166627) is a glycoside (CHEBI:24400)
IUPAC Name 
[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] hydrogen sulate
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