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

ChEBI IDCHEBI:169368
ChEBI Name8-(6-carboxy-2,3,4-trihydroxyphenoxy)-3,4,9,10-tetrahydroxy-6-oxo-6H-benzo[c]chromene-1-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H12O14
Net Charge0
Average Mass488.313
Monoisotopic Mass488.02271
SMILESO=C(O)c1cc(O)c(O)c(O)c1Oc1cc2c(=O)oc3c(O)c(O)cc(C(=O)O)c3c2c(O)c1O
InChIInChI=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)
InChIKeyWHFMZZCDPZDROO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Application:
astringent  A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
HMDB0136073HMDB
74854043ChemSpider