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CHEBI:169307 - Gossypetin 8-glucuronide-3-sulfate

ChEBI IDCHEBI:169307
ChEBI NameGossypetin 8-glucuronide-3-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O17S
Net Charge0
Average Mass574.425
Monoisotopic Mass574.02647
SMILESO=C(O)C1O[C@@H](Oc2c(O)cc(O)c3c(=O)c(OS(=O)(=O)O)c(-c4ccc(O)c(O)c4)oc23)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H18O17S/c22-6-2-1-5(3-7(6)23)15-18(38-39(32,33)34)11(26)10-8(24)4-9(25)16(17(10)35-15)36-21-14(29)12(27)13(28)19(37-21)20(30)31/h1-4,12-14,19,21-25,27-29H,(H,30,31)(H,32,33,34)/t12-,13-,14?,19?,21+/m0/s1
InChIKeyHUZYIABAGFALTN-LFPOBHQBSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Gossypetin 8-glucuronide-3-sulfate (CHEBI:169307) is a flavonoids (CHEBI:72544)
Gossypetin 8-glucuronide-3-sulfate (CHEBI:169307) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(3S,4S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3-sulooxychromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
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24845751ChemSpider