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CHEBI:202476 - Concrescenin A

Default Structure
ChEBI IDCHEBI:202476
ChEBI NameConcrescenin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H20O8
Net Charge0
Average Mass472.449
Monoisotopic Mass472.11582
SMILESCC(=O)Oc1c(OC(=O)c2ccccc2)c(-c2ccc(O)cc2)c(O)c(O)c1-c1ccc(O)cc1
InChIInChI=1S/C27H20O8/c1-15(28)34-25-21(16-7-11-19(29)12-8-16)23(31)24(32)22(17-9-13-20(30)14-10-17)26(25)35-27(33)18-5-3-2-4-6-18/h2-14,29-32H,1H3
InChIKeyVUWNREQSWVHNOP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Hydnellum concrescens (ncbitaxon:268278) - PubMed (25088970)
ChEBI Ontology
Outgoing Relation(s)
Concrescenin A (CHEBI:202476) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[2-acetyloxy-4,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] benzoate
Manual XrefsDatabases
78435899ChemSpider