Destruxin B

Properties Image MNX_ID MNXM49208 reference chebi:181259 formula C30H51N5O7 global charge 0 mol weight 593.766 InChIKey GNBHVMBELHWUIF-UHFFFAOYSA-N InChI InChI=1S/C30H51N5O7/c1-10-19(6)24-29(40)34(9)25(18(4)5)30(41)33(8)20(7)26(37)31-14-13-23(36)42-22(16-17(2)3)28(39)35-15-11-12-21(35)27(38)32-24/h17-22,24-25H,10-16H2,1-9H3,(H,31,37)(H,32,38) SMILES CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O MNX internals InChI (mnx) InChI=1/C30H51N5O7/c1-10-19(6)24-29(40)34(9)25(18(4)5)30(41)33(8)20(7)26(37)31-14-13-23(36)42-22(16-17(2)3)28(39)35-15-11-12-21(35)27(38)32-24/h17-22,24-25H,10-16H2,1-9H3,(H,31,37)(H,32,38)/t19?,20?,21?,22?,24?,25? SMILES (mnx) [CH3:1][CH2:10][CH:19]([CH3:6])[CH:24]1[C:29](=[O:40])[N:34]([CH3:9])[CH:25]([CH:18]([CH3:4])[CH3:5])[C:30](=[O:41])[N:33]([CH3:8])[CH:20]([CH3:7])[C:26]([OH:37])=[N:31][CH2:14][CH2:13][C:23](=[O:36])[O:42][CH:22]([CH2:16][CH:17]([CH3:2])[CH3:3])[C:28](=[O:39])[N:35]2[CH2:15][CH2:11][CH2:12][CH:21]2[C:27]([OH:38])=[N:32]1

Parent-child relations graph

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