CHEBI:92920 - (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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ChEBI Name (3S,4R)-3-hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopentenyl)oxy]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile
ChEBI ID CHEBI:92920
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H17NO4
Net Charge 0
Average Mass 299.322
Monoisotopic Mass 299.11576
InChI InChI=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
InChIKey WJBHHTPFTVKZCV-CVEARBPZSA-N
SMILES CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)OC3=CC(=O)CC3)O)C
ChEBI Ontology
Outgoing (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 Xref Database
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