CHEBI:182059 - Polygalatenoside A

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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 Polygalatenoside A
ChEBI ID CHEBI:182059
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H26O11
Net Charge 0
Average Mass 430.406
Monoisotopic Mass 430.14751
InChI InChI=1S/C19H26O11/c20-6-10-13(21)14(22)11(7-27-10)29-19-17(25)16(24)15(23)12(30-19)8-28-18(26)9-4-2-1-3-5-9/h1-5,10-17,19-25H,6-8H2/t10-,11+,12-,13-,14-,15+,16+,17-,19+/m1/s1
InChIKey RXRSNDCGNOOFLH-VZNNHAMSSA-N
SMILES O([C@@H]1[C@@H](O)[C@H](O)[C@H](OC1)CO)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)COC(=O)C3=CC=CC=C3
ChEBI Ontology
Outgoing Polygalatenoside A (CHEBI:182059) is a glycoside (CHEBI:24400)
IUPAC Name
[(2R,3R,4S,5R,6S)-6-[(3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl benzoate
Manual Xref Database
29814314 ChemSpider
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