withalongolide N

Properties Image MNX_ID MNXM113945 reference chebi:69118 formula C33H48O10 global charge 0 mol weight 604.737 InChIKey GCUKFNAJZUUBSQ-HCGFFNIQSA-N InChI InChI=1S/C33H48O10/c1-15-17(14-41-32-30(39)29(38)28(37)27(13-34)43-32)10-26(42-31(15)40)16(2)23-6-7-24-21-12-25(36)22-11-18(35)4-5-19(22)20(21)8-9-33(23,24)3/h16,18,20-21,23-24,26-30,32,34-35,37-39H,4-14H2,1-3H3/t16-,18+,20+,21+,23+,24-,26+,27+,28+,29-,30+,32+,33+/m0/s1 SMILES CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC(=O)C5=C(CC[C@@H](O)C5)[C@H]4CC[C@]23C)OC1=O MNX internals InChI (mnx) InChI=1/C33H48O10/c1-15-17(14-41-32-30(39)29(38)28(37)27(13-34)43-32)10-26(42-31(15)40)16(2)23-6-7-24-21-12-25(36)22-11-18(35)4-5-19(22)20(21)8-9-33(23,24)3/h16,18,20-21,23-24,26-30,32,34-35,37-39H,4-14H2,1-3H3/t16-,18+,20+,21+,23+,24-,26+,27+,28+,29-,30+,32+,33+/m0/s1 SMILES (mnx) [CH3:1][C:15]1=[C:17]([CH2:14][O:41][C@H:32]2[C@H:30]([OH:39])[C@@H:29]([OH:38])[C@H:28]([OH:37])[C@@H:27]([CH2:13][OH:34])[O:43]2)[CH2:10][C@H:26]([C@@H:16]([CH3:2])[C@H:23]2[CH2:6][CH2:7][C@H:24]3[C@@H:21]4[CH2:12][C:25](=[O:36])[C:22]5=[C:19]([CH2:5][CH2:4][C@@H:18]([OH:35])[CH2:11]5)[C@H:20]4[CH2:8][CH2:9][C@:33]23[CH3:3])[O:42][C:31]1=[O:40]

Parent-child relations graph

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