CHEBI:191830 - 2-Cinnamoyl-1-galloyl-beta-D-glucopyranose

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ChEBI Name 2-Cinnamoyl-1-galloyl-beta-D-glucopyranose
ChEBI ID CHEBI:191830
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H22O11
Net Charge 0
Average Mass 462.407
Monoisotopic Mass 462.11621
InChI InChI=1S/C22H22O11/c23-10-15-18(28)19(29)20(32-16(26)7-6-11-4-2-1-3-5-11)22(31-15)33-21(30)12-8-13(24)17(27)14(25)9-12/h1-9,15,18-20,22-25,27-29H,10H2/b7-6-
InChIKey FISMJUPMCGKNNX-SREVYHEPSA-N
SMILES O1C(C(O)C(O)C(OC(=O)/C=C\C2=CC=CC=C2)C1OC(=O)C3=CC(O)=C(O)C(O)=C3)CO
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). 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 2-Cinnamoyl-1-galloyl-beta-D-glucopyranose (CHEBI:191830) is a tannin (CHEBI:26848)
IUPAC Name
[4,5-dihydroxy-6-(hydroxymethyl)-3-[(Z)-3-phenylprop-2-enoyl]oxyoxan-2-yl] 3,4,5-trihydroxybenzoate
Manual Xref Database
HMDB0039189 HMDB
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