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

Properties Image MNX_ID MNXM172301 reference chebi:92920 formula C17H17NO4 global charge 0 mol weight 299.326 InChIKey WJBHHTPFTVKZCV-CVEARBPZSA-N 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 SMILES CC1(C)OC2=C(C=C(C#N)C=C2)[C@@H](OC2=CC(=O)CC2)[C@@H]1O MNX internals InChI (mnx) InChI=1/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 SMILES (mnx) [CH3:1][C:17]1([CH3:2])[C@@H:16]([OH:20])[C@H:15]([O:21][C:12]2=[CH:8][C:11](=[O:19])[CH2:4][CH2:5]2)[C:13]2=[C:14]([CH:6]=[CH:3][C:10]([C:9]#[N:18])=[CH:7]2)[O:22]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0