alangimarckine

Properties Image MNX_ID MNXM10613 reference chebi:2536 formula C29H37N3O3 global charge 0 mol weight 475.633 InChIKey BZIKDLPHKDIUHH-PCYHDRSOSA-N InChI InChI=1S/C29H37N3O3/c1-4-17-16-32-12-10-21-22(15-26(34-2)29(35-3)28(21)33)25(32)14-18(17)13-24-27-20(9-11-30-24)19-7-5-6-8-23(19)31-27/h5-8,15,17-18,24-25,30-31,33H,4,9-14,16H2,1-3H3/t17-,18-,24+,25-/m0/s1 SMILES CC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3O)[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1NC1=C2C=CC=C1 MNX internals InChI (mnx) InChI=1/C29H37N3O3/c1-4-17-16-32-12-10-21-22(15-26(34-2)29(35-3)28(21)33)25(32)14-18(17)13-24-27-20(9-11-30-24)19-7-5-6-8-23(19)31-27/h5-8,15,17-18,24-25,30-31,33H,4,9-14,16H2,1-3H3/t17-,18-,24+,25-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@H:17]1[CH2:16][N:32]2[CH2:12][CH2:10][C:21]3=[C:22]([CH:15]=[C:26]([O:34][CH3:2])[C:29]([O:35][CH3:3])=[C:28]3[OH:33])[C@@H:25]2[CH2:14][C@@H:18]1[CH2:13][C@@H:24]1[C:27]2=[C:20]([CH2:9][CH2:11][NH:30]1)[C:19]1=[CH:7][CH:5]=[CH:6][CH:8]=[C:23]1[NH:31]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0