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CHEBI:168011 - 9,10-dihydroxy-8,8-dimethyl-2H,8H,9H,10H-pyrano[2,3-h]chromen-2-one

ChEBI IDCHEBI:168011
ChEBI Name9,10-dihydroxy-8,8-dimethyl-2H,8H,9H,10H-pyrano[2,3-h]chromen-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O5
Net Charge0
Average Mass262.261
Monoisotopic Mass262.08412
SMILESCC1(C)Oc2ccc3ccc(=O)oc3c2C(O)C1O
InChIInChI=1S/C14H14O5/c1-14(2)13(17)11(16)10-8(19-14)5-3-7-4-6-9(15)18-12(7)10/h3-6,11,13,16-17H,1-2H3
InChIKeyHKXQUNNSKMWIKJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
9,10-dihydroxy-8,8-dimethyl-2H,8H,9H,10H-pyrano[2,3-h]chromen-2-one (CHEBI:168011) is a coumarins (CHEBI:23403)
IUPAC Name 
9,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-]chromen-2-one
Manual XrefsDatabases
HMDB0138052HMDB
222495ChemSpider
Registry NumbersSources
CAS:518-76-3ChemIDplus