O-Methylandrocymbine

Properties Image MNX_ID MNXM5859 reference chebi:80674 formula C22H27NO5 global charge 0 mol weight 385.46 InChIKey AYPIIWGCGUQVNZ-OYHNWAKOSA-N InChI InChI=1S/C22H27NO5/c1-23-9-8-22-12-18(26-3)16(24)11-14(22)15(23)7-6-13-10-17(25-2)20(27-4)21(28-5)19(13)22/h10-12,15H,6-9H2,1-5H3/t15-,22+/m0/s1 SMILES COC1=C[C@@]23CCN(C)[C@@H](CCC4=C2C(OC)=C(OC)C(OC)=C4)C3=CC1=O MNX internals InChI (mnx) InChI=1/C22H27NO5/c1-23-9-8-22-12-18(26-3)16(24)11-14(22)15(23)7-6-13-10-17(25-2)20(27-4)21(28-5)19(13)22/h10-12,15H,6-9H2,1-5H3/t15-,22?/m0/s1 SMILES (mnx) [CH3:1][N:23]1[CH2:9][CH2:8][C@@:22]23[CH:12]=[C:18]([O:26][CH3:3])[C:16](=[O:24])[CH:11]=[C:14]2[C@@H:15]1[CH2:7][CH2:6][C:13]1=[C:19]3[C:21]([O:28][CH3:5])=[C:20]([O:27][CH3:4])[C:17]([O:25][CH3:2])=[CH:10]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0