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CHEBI:208043 - Citreobenzofuran B

ChEBI IDCHEBI:208043
ChEBI NameCitreobenzofuran B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O3
Net Charge0
Average Mass246.306
Monoisotopic Mass246.12559
SMILESCc1cc2c(CO)coc2c2c1CC[C@@H](O)[C@@H]2C
InChIInChI=1S/C15H18O3/c1-8-5-12-10(6-16)7-18-15(12)14-9(2)13(17)4-3-11(8)14/h5,7,9,13,16-17H,3-4,6H2,1-2H3/t9-,13+/m0/s1
InChIKeyKFNIOOQVUNXCSG-TVQRCGJNSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/s0040-4020(03)00739-7)
ChEBI Ontology
Outgoing Relation(s)
Citreobenzofuran B (CHEBI:208043) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(8R,9R)-3-(hydroxymethyl)-5,9-dimethyl-6,7,8,9-tetrahydrobenzo[g][1]benzouran-8-ol
Manual XrefsDatabases
78443597ChemSpider