CHEBI:180730 - 4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy-[1,1'-biphenyl]-2,2'-dicarboxylic acid

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ChEBI Name 4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy-[1,1'-biphenyl]-2,2'-dicarboxylic acid
ChEBI ID CHEBI:180730
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H14O15
Net Charge 0
Average Mass 506.328
Monoisotopic Mass 506.03327
InChI InChI=1S/C21H14O15/c22-7-1-4(19(30)31)10(15(27)12(7)24)11-5(20(32)33)3-9(14(26)16(11)28)36-18-6(21(34)35)2-8(23)13(25)17(18)29/h1-3,22-29H,(H,30,31)(H,32,33)(H,34,35)
InChIKey RUOFGJLCWJUJRS-UHFFFAOYSA-N
SMILES O(C1=C(O)C(O)=C(C=2C(=CC(O)=C(O)C2O)C(O)=O)C(=C1)C(O)=O)C=3C(=CC(O)=C(O)C3O)C(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133).
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 4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy-[1,1'-biphenyl]-2,2'-dicarboxylic acid (CHEBI:180730) is a tannin (CHEBI:26848)
IUPAC Name
2-[6-carboxy-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-2,3-dihydroxyphenyl]-3,4,5-trihydroxybenzoic acid
Manual Xrefs Databases
26538333 ChemSpider
HMDB0136072 HMDB
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