methyl tumonoate A

Properties Image MNX_ID MNXM106626 reference chebi:69213 formula C20H35NO4 global charge 0 mol weight 353.503 InChIKey SZDORSKCYIOHRW-HOOHWIHRSA-N InChI InChI=1S/C20H35NO4/c1-5-6-7-8-9-10-12-15(2)18(22)16(3)19(23)21-14-11-13-17(21)20(24)25-4/h12,16-18,22H,5-11,13-14H2,1-4H3/b15-12+/t16-,17+,18-/m1/s1 SMILES CCCCCCC/C=C(\C)[C@@H](O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OC MNX internals InChI (mnx) InChI=1/C20H35NO4/c1-5-6-7-8-9-10-12-15(2)18(22)16(3)19(23)21-14-11-13-17(21)20(24)25-4/h12,16-18,22H,5-11,13-14H2,1-4H3/b15-12+/t16-,17+,18-/m1/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:12]=[C:15](\[CH3:2])[C@H:18]([C@@H:16]([CH3:3])[C:19]([N:21]1[CH2:14][CH2:11][CH2:13][C@H:17]1[C:20](=[O:24])[O:25][CH3:4])=[O:23])[OH:22]

Parent-child relations graph

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