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CHEBI:213861 - Monaphenol A

ChEBI IDCHEBI:213861
ChEBI NameMonaphenol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O7
Net Charge0
Average Mass360.362
Monoisotopic Mass360.12090
SMILESCc1cc(O)cc(O)c1C(=O)c1c(O)cc(O)cc1CC(=O)C[C@@H](C)O
InChIInChI=1S/C19H20O7/c1-9-3-12(21)7-15(24)17(9)19(26)18-11(5-13(22)4-10(2)20)6-14(23)8-16(18)25/h3,6-8,10,20-21,23-25H,4-5H2,1-2H3/t10-/m1/s1
InChIKeyZHXXUAGDDCLKMY-SNVBAGLBSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (32194170)
ChEBI Ontology
Outgoing Relation(s)
Monaphenol A (CHEBI:213861) is a benzophenones (CHEBI:22726)
IUPAC Name 
(4R)-1-[2-(2,4-dihydroxy-6-methylbenzoyl)-3,5-dihydroxyphenyl]-4-hydroxypentan-2-one
Manual XrefsDatabases
97510525ChemSpider