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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Gossypetin 8-glucoside-3-sulfate
ChEBI ID CHEBI:166627
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H20O16S
Net Charge 0
Average Mass 560.440
Monoisotopic Mass 560.04721
InChI InChI=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
InChIKey DMAOYRIREVHKFQ-DLBNBXSVSA-N
SMILES S(OC=1C(=O)C2=C(OC1C3=CC(O)=C(O)C=C3)C(O[C@@H]4OC([C@@H](O)[C@H](O)C4O)CO)=C(O)C=C2O)(O)(=O)=O
ChEBI Ontology
Outgoing 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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