Maritinamine

Properties Image MNX_ID MNXM168297 reference keggC:C21639 formula C16H21NO3 global charge 0 mol weight 275.348 InChIKey CTECRPNIWSEFRW-RLCCDNCMSA-N InChI InChI=1S/C16H21NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h6,8,11,15,18-19H,2-5,7,9H2,1H3/t11-,15+,16+/m1/s1 SMILES COC1=CC2=C(C=C1O)CN1CC[C@@]23CC[C@@H](O)C[C@H]13 MNX internals InChI (mnx) InChI=1/C16H21NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h6,8,11,15,18-19H,2-5,7,9H2,1H3/t11-,15+,16+/m1/s1 SMILES (mnx) [CH3:1][O:20][C:14]1=[C:13]([OH:19])[CH:6]=[C:10]2[CH2:9][N:17]3[CH2:5][CH2:4][C@@:16]4([CH2:3][CH2:2][C@@H:11]([OH:18])[CH2:7][C@@H:15]43)[C:12]2=[CH:8]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0