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CHEBI:92920 - (3S,4R)-3-hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopentenyl)oxy]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile

ChEBI IDCHEBI:92920
ChEBI Name(3S,4R)-3-hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopentenyl)oxy]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile
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DownloadsMolfile
FormulaC17H17NO4
Net Charge0
Average Mass299.326
Monoisotopic Mass299.11576
SMILESCC1(C)Oc2ccc(C#N)cc2[C@@H](OC2=CC(=O)CC2)[C@@H]1O
InChIInChI=1S/C17H17NO4/c1-17(2)16(20)15(21-12-5-4-11(19)8-12)13-7-10(9-18)3-6-14(13)22-17/h3,6-8,15-16,20H,4-5H2,1-2H3/t15-,16+/m1/s1
InChIKeyWJBHHTPFTVKZCV-CVEARBPZSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,4R)-3-hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopentenyl)oxy]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile (CHEBI:92920) is a 1-benzopyran (CHEBI:38443)
Manual XrefsDatabases
LSM-3167LINCS