14-O-acetylbrowniine

Properties Image MNX_ID MNXM33379 reference chebi:2414 formula C27H43NO8 global charge 0 mol weight 509.64 InChIKey BQMFTYVYHRJVMQ-VEUWJJFUSA-N InChI InChI=1S/C27H43NO8/c1-7-28-12-24(13-32-3)9-8-18(34-5)26-16-10-15-17(33-4)11-25(30,19(16)20(15)36-14(2)29)27(31,23(26)28)22(35-6)21(24)26/h15-23,30-31H,7-13H2,1-6H3/t15-,16-,17+,18+,19-,20+,21-,22+,23?,24+,25-,26+,27-/m1/s1 SMILES CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O MNX internals InChI (mnx) InChI=1/C27H43NO8/c1-7-28-12-24(13-32-3)9-8-18(34-5)26-16-10-15-17(33-4)11-25(30,19(16)20(15)36-14(2)29)27(31,23(26)28)22(35-6)21(24)26/h15-23,30-31H,7-13H2,1-6H3/t15-,16-,17+,18+,19-,20+,21-,22+,23?,24+,25-,26+,27-/m1/s1 SMILES (mnx) [CH3:1][CH2:7][N:28]1[CH2:12][C@:24]2([CH2:13][O:32][CH3:3])[CH2:9][CH2:8][C@H:18]([O:34][CH3:5])[C@@:26]34[C@@H:16]5[CH2:10][C@@H:15]6[C@@H:17]([O:33][CH3:4])[CH2:11][C@@:25]([OH:30])([C@H:19]5[C@H:20]6[O:36][C:14]([CH3:2])=[O:29])[C@@:27]([OH:31])([C@@H:22]([O:35][CH3:6])[C@H:21]23)[CH:23]41

Parent-child relations graph

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