Jangomolide

Properties Image MNX_ID MNXM127000 reference hmdb:HMDB0038158 formula C26H28O8 global charge 0 mol weight 468.502 InChIKey ZYPFSBYGJYBBBK-QLYHGWIMSA-N InChI InChI=1S/C26H28O8/c1-22(2)15-11-16(27)24(4)14(25(15)9-6-17(28)31-21(25)34-22)5-8-23(3)18(13-7-10-30-12-13)32-20(29)19-26(23,24)33-19/h6-7,9-10,12,14-15,18-19,21H,5,8,11H2,1-4H3/t14?,15?,18-,19+,21+,23-,24-,25-,26+/m0/s1 SMILES CC1(C)O[C@H]2OC(=O)C=C[C@]23C1CC(=O)[C@]1(C)C3CC[C@@]2(C)[C@H](C3=COC=C3)OC(=O)[C@H]3O[C@]321 MNX internals InChI (mnx) InChI=1/C26H28O8/c1-22(2)15-11-16(27)24(4)14(25(15)9-6-17(28)31-21(25)34-22)5-8-23(3)18(13-7-10-30-12-13)32-20(29)19-26(23,24)33-19/h6-7,9-10,12,14-15,18-19,21H,5,8,11H2,1-4H3/t14?,15?,18-,19+,21+,23-,24-,25-,26+/m0/s1 SMILES (mnx) [CH3:1][C:22]1([CH3:2])[CH:15]2[CH2:11][C:16](=[O:27])[C@:24]3([CH3:4])[CH:14]([CH2:5][CH2:8][C@@:23]4([CH3:3])[C@H:18]([C:13]5=[CH:12][O:30][CH:10]=[CH:7]5)[O:32][C:20](=[O:29])[C@@H:19]5[C@@:26]43[O:33]5)[C@@:25]23[CH:9]=[CH:6][C:17](=[O:28])[O:31][C@@H:21]3[O:34]1

Parent-child relations graph

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