fumitremorgin A

Properties Image MNX_ID MNXM125782 reference chebi:72766 formula C32H41N3O7 global charge 0 mol weight 579.694 InChIKey ACGHJVZDNQZJOV-BMOJZYMJSA-N InChI InChI=1S/C32H41N3O7/c1-18(2)12-14-40-28-26-21-11-10-20(39-7)16-23(21)34-25(15-19(3)4)41-42-31(5,6)17-24(27(26)34)35-29(36)22-9-8-13-33(22)30(37)32(28,35)38/h10-12,15-16,22,24-25,28,38H,8-9,13-14,17H2,1-7H3/t22-,24-,25+,28-,32+/m0/s1 SMILES COC1=CC2=C(C=C1)C1=C3[C@H](CC(C)(C)OO[C@H](C=C(C)C)N23)N2C(=O)[C@@H]3CCCN3C(=O)[C@]2(O)[C@H]1OCC=C(C)C MNX internals InChI (mnx) InChI=1/C32H41N3O7/c1-18(2)12-14-40-28-26-21-11-10-20(39-7)16-23(21)34-25(15-19(3)4)41-42-31(5,6)17-24(27(26)34)35-29(36)22-9-8-13-33(22)30(37)32(28,35)38/h10-12,15-16,22,24-25,28,38H,8-9,13-14,17H2,1-7H3/t22-,24-,25+,28-,32+/m0/s1 SMILES (mnx) [CH3:1][C:18]([CH3:2])=[CH:12][CH2:14][O:40][C@H:28]1[C:26]2=[C:27]3[C@H:24]([CH2:17][C:31]([CH3:5])([CH3:6])[O:42][O:41][C@H:25]([CH:15]=[C:19]([CH3:3])[CH3:4])[N:34]3[C:23]3=[CH:16][C:20]([O:39][CH3:7])=[CH:10][CH:11]=[C:21]32)[N:35]2[C:29](=[O:36])[C@@H:22]3[CH2:9][CH2:8][CH2:13][N:33]3[C:30](=[O:37])[C@:32]12[OH:38]

Parent-child relations graph

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