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CHEBI:206314 - Chaetochromone A

ChEBI IDCHEBI:206314
ChEBI NameChaetochromone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O8
Net Charge0
Average Mass336.296
Monoisotopic Mass336.08452
SMILESCOC(=O)c1cc(OC)c(O)c2oc3c(c(=O)c12)[C@@H](O)O[C@H](C)C3
InChIInChI=1S/C16H16O8/c1-6-4-8-11(16(20)23-6)13(18)10-7(15(19)22-3)5-9(21-2)12(17)14(10)24-8/h5-6,16-17,20H,4H2,1-3H3/t6-,16+/m1/s1
InChIKeyHMEVTIABBNMIHI-KXHHVGMCSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - PubMed (28796420)
Chaetomium (ncbitaxon:5149) - PubMed (24013408)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Chaetochromone A (CHEBI:206314) is a trihydroxybenzoic acid (CHEBI:27115)
IUPAC Names 
methyl (1S,3R)-1,6-dihydroxy-7-methoxy-3-methyl-10-oxo-3,4-dihydro-1H-pyrano[4,3-b]chromene-9-carboxylate
(1R,3S)-1,7,8-trihydroxy-3-methyl-3,4-dihydro-1H-pyrano[4,3-b]chromen-10-one
Manual XrefsDatabases
63002547ChemSpider
34519189ChemSpider