(S)-Autumnaline

Properties Image MNX_ID MNXM13767 reference chebi:80672 formula C21H27NO5 global charge 0 mol weight 373.449 InChIKey GZUNPCNPOLOTLX-INIZCTEOSA-N InChI InChI=1S/C21H27NO5/c1-22-8-7-14-11-19(25-2)17(23)12-15(14)16(22)6-5-13-9-18(24)21(27-4)20(10-13)26-3/h9-12,16,23-24H,5-8H2,1-4H3/t16-/m0/s1 SMILES COC1=C(O)C=C2C(=C1)CCN(C)[C@H]2CCC1=CC(OC)=C(OC)C(O)=C1 MNX internals InChI (mnx) InChI=1/C21H27NO5/c1-22-8-7-14-11-19(25-2)17(23)12-15(14)16(22)6-5-13-9-18(24)21(27-4)20(10-13)26-3/h9-12,16,23-24H,5-8H2,1-4H3/t16-/m0/s1 SMILES (mnx) [CH3:1][N:22]1[CH2:8][CH2:7][C:14]2=[CH:11][C:19]([O:25][CH3:2])=[C:17]([OH:23])[CH:12]=[C:15]2[C@@H:16]1[CH2:6][CH2:5][C:13]1=[CH:9][C:18]([OH:24])=[C:21]([O:27][CH3:4])[C:20]([O:26][CH3:3])=[CH:10]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0