CHEBI:186302 - 6-Cinnamoyl-1,2-digalloylglucose

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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 6-Cinnamoyl-1,2-digalloylglucose
ChEBI ID CHEBI:186302
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H26O15
Net Charge 0
Average Mass 614.512
Monoisotopic Mass 614.12717
InChI InChI=1S/C29H26O15/c30-16-8-14(9-17(31)22(16)35)27(39)43-26-25(38)24(37)20(12-41-21(34)7-6-13-4-2-1-3-5-13)42-29(26)44-28(40)15-10-18(32)23(36)19(33)11-15/h1-11,20,24-26,29-33,35-38H,12H2/b7-6+
InChIKey QAVVLMYACCQGJA-VOTSOKGWSA-N
SMILES O1C(C(O)C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C3=CC(O)=C(O)C(O)=C3)COC(=O)/C=C/C4=CC=CC=C4
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] 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 6-Cinnamoyl-1,2-digalloylglucose (CHEBI:186302) is a tannin (CHEBI:26848)
IUPAC Name
[4,5-dihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-2-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl] 3,4,5-trihydroxybenzoate
Manual Xref Database
HMDB0039194 HMDB
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