CHEBI:175996 - Pinostilbenoside

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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 Pinostilbenoside
ChEBI ID CHEBI:175996
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H24O8
Net Charge 0
Average Mass 404.415
Monoisotopic Mass 404.14712
InChI InChI=1S/C21H24O8/c1-27-16-9-13(8-14(23)10-16)3-2-12-4-6-15(7-5-12)28-21-20(26)19(25)18(24)17(11-22)29-21/h2-10,17-26H,11H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1
InChIKey IIISUZGWBIPYEJ-DXKBKAGUSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=C(C=C2)/C=C/C=3C=C(OC)C=C(O)C3)CO
ChEBI Ontology
Outgoing Pinostilbenoside (CHEBI:175996) is a glycoside (CHEBI:24400)
Pinostilbenoside (CHEBI:175996) is a stilbenoid (CHEBI:26776)
IUPAC Name
(2S,3R,4S,5S,6R)-2-[4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual Xref Database
10433424 ChemSpider
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