CHEBI:169368 - 8-(6-carboxy-2,3,4-trihydroxyphenoxy)-3,4,9,10-tetrahydroxy-6-oxo-6H-benzo[c]chromene-1-carboxylic acid

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ChEBI Name 8-(6-carboxy-2,3,4-trihydroxyphenoxy)-3,4,9,10-tetrahydroxy-6-oxo-6H-benzo[c]chromene-1-carboxylic acid
ChEBI ID CHEBI:169368
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H12O14
Net Charge 0
Average Mass 488.313
Monoisotopic Mass 488.02271
InChI InChI=1S/C21H12O14/c22-7-2-6(20(31)32)17(16(28)12(7)24)34-9-3-5-10(15(27)14(9)26)11-4(19(29)30)1-8(23)13(25)18(11)35-21(5)33/h1-3,22-28H,(H,29,30)(H,31,32)
InChIKey WHFMZZCDPZDROO-UHFFFAOYSA-N
SMILES O1C2=C(C=3C(=CC(OC=4C(=CC(O)=C(O)C4O)C(O)=O)=C(O)C3O)C1=O)C(=CC(O)=C2O)C(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 8-(6-carboxy-2,3,4-trihydroxyphenoxy)-3,4,9,10-tetrahydroxy-6-oxo-6H-benzo[c]chromene-1-carboxylic acid (CHEBI:169368) is a tannin (CHEBI:26848)
IUPAC Name
8-(6-carboxy-2,3,4-trihydroxyphenoxy)-3,4,9,10-tetrahydroxy-6-oxobenzo[c]chromene-1-carboxylic acid
Manual Xrefs Databases
74854043 ChemSpider
HMDB0136073 HMDB
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