withalongolide M

Properties Image MNX_ID MNXM113944 reference chebi:69117 formula C33H48O10 global charge 0 mol weight 604.737 InChIKey CLUVBNATYXEVRS-UJQMTUMNSA-N InChI InChI=1S/C33H48O10/c1-15-18(14-41-32-30(39)29(38)28(37)26(13-34)43-32)11-25(42-31(15)40)16(2)22-6-7-23-20-5-4-17-10-19(35)12-24(36)27(17)21(20)8-9-33(22,23)3/h16,19-23,25-26,28-30,32,34-35,37-39H,4-14H2,1-3H3/t16-,19+,20+,21-,22+,23-,25+,26+,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]4CCC5=C(C(=O)C[C@H](O)C5)[C@H]4CC[C@]23C)OC1=O MNX internals InChI (mnx) InChI=1/C33H48O10/c1-15-18(14-41-32-30(39)29(38)28(37)26(13-34)43-32)11-25(42-31(15)40)16(2)22-6-7-23-20-5-4-17-10-19(35)12-24(36)27(17)21(20)8-9-33(22,23)3/h16,19-23,25-26,28-30,32,34-35,37-39H,4-14H2,1-3H3/t16-,19+,20+,21-,22+,23-,25+,26+,28+,29-,30+,32+,33+/m0/s1 SMILES (mnx) [CH3:1][C:15]1=[C:18]([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:26]([CH2:13][OH:34])[O:43]2)[CH2:11][C@H:25]([C@@H:16]([CH3:2])[C@H:22]2[CH2:6][CH2:7][C@H:23]3[C@@H:20]4[CH2:5][CH2:4][C:17]5=[C:27]([C@H:21]4[CH2:8][CH2:9][C@:33]23[CH3:3])[C:24](=[O:36])[CH2:12][C@H:19]([OH:35])[CH2:10]5)[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