CHEBI:228307 - Glucogallin

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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 Glucogallin
ChEBI ID CHEBI:228307
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H16O10
Net Charge 0
Average Mass 332.261
Monoisotopic Mass 332.07435
InChI InChI=1S/C13H16O10/c1-21-12-9(18)8(17)10(19)13(23-12)22-11(20)4-2-5(14)7(16)6(15)3-4/h2-3,8-10,12-19H,1H3/t8-,9-,10+,12-,13?/m0/s1
InChIKey KGHSLXLLBHRMML-PHSPRSPYSA-N
SMILES O1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1OC
ChEBI Ontology
Outgoing Glucogallin (CHEBI:228307) is a gallate ester (CHEBI:37576)
IUPAC Name
[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl] 3,4,5-trihydroxybenzoate
Manual Xref Database
110791 ChemSpider
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