withalongolide K

Properties Image MNX_ID MNXM113942 reference chebi:69115 formula C33H46O10 global charge 0 mol weight 602.721 InChIKey QYYMGJGFQVRKJA-RMHZGSCISA-N InChI InChI=1S/C33H46O10/c1-15-17(14-41-32-30(39)29(38)28(37)26(13-34)43-32)11-25(42-31(15)40)16(2)21-7-8-22-20-12-24(36)19-5-4-6-23(35)27(19)18(20)9-10-33(21,22)3/h4-6,16,18,20-22,24-26,28-30,32,34-39H,7-14H2,1-3H3/t16-,18-,20+,21+,22-,24-,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]4C[C@H](O)C5=C(C(O)=CC=C5)[C@H]4CC[C@]23C)OC1=O MNX internals InChI (mnx) InChI=1/C33H46O10/c1-15-17(14-41-32-30(39)29(38)28(37)26(13-34)43-32)11-25(42-31(15)40)16(2)21-7-8-22-20-12-24(36)19-5-4-6-23(35)27(19)18(20)9-10-33(21,22)3/h4-6,16,18,20-22,24-26,28-30,32,34-39H,7-14H2,1-3H3/t16-,18-,20+,21+,22-,24-,25+,26+,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:26]([CH2:13][OH:34])[O:43]2)[CH2:11][C@H:25]([C@@H:16]([CH3:2])[C@H:21]2[CH2:7][CH2:8][C@H:22]3[C@@H:20]4[CH2:12][C@H:24]([OH:36])[C:19]5=[C:27]([C@H:18]4[CH2:9][CH2:10][C@:33]23[CH3:3])[C:23]([OH:35])=[CH:6][CH:4]=[CH:5]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