CHEBI:192006 - 2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside

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ChEBI Name 2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside
ChEBI ID CHEBI:192006
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H22O12
Net Charge 0
Average Mass 478.406
Monoisotopic Mass 478.11113
InChI InChI=1S/C22H22O12/c23-9-15-18(29)19(30)20(33-16(27)6-3-10-1-4-12(24)5-2-10)22(32-15)34-21(31)11-7-13(25)17(28)14(26)8-11/h1-8,15,18-20,22-26,28-30H,9H2/b6-3-
InChIKey SWCFDHFIUQJCLJ-UTCJRWHESA-N
SMILES O1C(C(O)C(O)C(OC(=O)/C=C\C2=CC=C(O)C=C2)C1OC(=O)C3=CC(O)=C(O)C(O)=C3)CO
Metabolite of Species Details
Populus trichocarpa (NCBI:txid3694) Found in root (BTO:0001188). 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-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside (CHEBI:192006) is a tannin (CHEBI:26848)
IUPAC Name
[4,5-dihydroxy-6-(hydroxymethyl)-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl] 3,4,5-trihydroxybenzoate
Manual Xref Database
HMDB0039190 HMDB
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