2-all trans-hexaprenyl-6-methoxyaminophenol

Properties Image MNX_ID MNXM147371 reference metacycM:CPD-15194 formula C37H57NO2 global charge 0 mol weight 547.868 InChIKey JTLNJQPPHCEOEJ-FRICUITQSA-N InChI InChI=1S/C37H57NO2/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(39)27-36(40-8)37(34)38/h14,16,18,20,22,24,26-27,39H,9-13,15,17,19,21,23,25,38H2,1-8H3/b29-16+,30-18+,31-20+,32-22+,33-24+ SMILES COC1=C(N)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=CC(O)=C1 MNX internals InChI (mnx) InChI=1/C37H57NO2/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(39)27-36(40-8)37(34)38/h14,16,18,20,22,24,26-27,39H,9-13,15,17,19,21,23,25,38H2,1-8H3/b29-16+,30-18+,31-20+,32-22+,33-24+ SMILES (mnx) [CH3:1][C:28]([CH3:2])=[CH:14][CH2:9][CH2:15]/[C:29]([CH3:3])=[CH:16]/[CH2:10][CH2:17]/[C:30]([CH3:4])=[CH:18]/[CH2:11][CH2:19]/[C:31]([CH3:5])=[CH:20]/[CH2:12][CH2:21]/[C:32]([CH3:6])=[CH:22]/[CH2:13][CH2:23]/[C:33]([CH3:7])=[CH:24]/[CH2:25][C:34]1=[CH:26][C:35]([OH:39])=[CH:27][C:36]([O:40][CH3:8])=[C:37]1[NH2:38]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0