CHEBI:191155 - Picroside ii

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ChEBI Name Picroside ii
ChEBI ID CHEBI:191155
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H28O13
Net Charge 0
Average Mass 512.464
Monoisotopic Mass 512.15299
InChI InChI=1S/C23H28O13/c1-31-12-6-9(2-3-11(12)26)20(30)34-18-10-4-5-32-21(14(10)23(8-25)19(18)36-23)35-22-17(29)16(28)15(27)13(7-24)33-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3
InChIKey AKNILCMFRRDTEY-UHFFFAOYSA-N
SMILES O1C2(C1C(OC(=O)C3=CC(OC)=C(O)C=C3)C4C2C(OC=C4)OC5OC(C(O)C(O)C5O)CO)CO
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in INS-1 cell (BTO:0002135). See: MetaboLights Study
Roles Classification
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via tannin )
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ChEBI Ontology
Outgoing Picroside ii (CHEBI:191155) is a tannin (CHEBI:26848)
IUPAC Name
[2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-hydroxy-3-methoxybenzoate
Manual Xref Database
2339083 ChemSpider
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