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CHEBI:198550 - Citreobenzofuran A

ChEBI IDCHEBI:198550
ChEBI NameCitreobenzofuran A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O3
Net Charge0
Average Mass260.333
Monoisotopic Mass260.14124
SMILESCOCc1coc2cc3c(c(C)c12)[C@@H](C)[C@H](O)CC3
InChIInChI=1S/C16H20O3/c1-9-13(17)5-4-11-6-14-16(10(2)15(9)11)12(7-18-3)8-19-14/h6,8-9,13,17H,4-5,7H2,1-3H3/t9-,13+/m0/s1
InChIKeyOIKFQUJLHKTSQT-TVQRCGJNSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/s0040-4020(03)00739-7)
ChEBI Ontology
Outgoing Relation(s)
Citreobenzofuran A (CHEBI:198550) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(5R,6R)-3-(methoxymethyl)-4,5-dimethyl-5,6,7,8-tetrahydrobenzo[][1]benzouran-6-ol
Manual XrefsDatabases
10356715ChemSpider