andilesin A

Properties Image MNX_ID MNXM148076 reference chebi:177859 formula C25H32O6 global charge 0 mol weight 428.525 InChIKey SJSNDUDHAXBERS-ABGUQTIISA-N InChI InChI=1S/C25H32O6/c1-20(2)13-6-9-24-11-22(4)17(27)16-18(28)30-12-25(16,24)23(5,19(22)29)10-14(24)21(13,3)8-7-15(26)31-20/h7-8,13-14,16-17,27H,6,9-12H2,1-5H3/t13-,14-,16+,17+,21-,22-,23-,24-,25+/m0/s1 SMILES CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1CC[C@]13C[C@]4(C)C(=O)[C@](C)(C[C@@H]21)[C@]31COC(=O)[C@H]1[C@H]4O MNX internals InChI (mnx) InChI=1/C25H32O6/c1-20(2)13-6-9-24-11-22(4)17(27)16-18(28)30-12-25(16,24)23(5,19(22)29)10-14(24)21(13,3)8-7-15(26)31-20/h7-8,13-14,16-17,27H,6,9-12H2,1-5H3/t13-,14-,16+,17+,21-,22-,23?,24-,25+/m0/s1 SMILES (mnx) [CH3:1][C:20]1([CH3:2])[C@@H:13]2[CH2:6][CH2:9][C@@:24]34[CH2:11][C@@:22]5([CH3:4])[C@H:17]([OH:27])[C@@H:16]6[C:18](=[O:28])[O:30][CH2:12][C@:25]63[C@@:23]([CH3:5])([CH2:10][C@H:14]4[C@@:21]2([CH3:3])[CH:8]=[CH:7][C:15](=[O:26])[O:31]1)[C:19]5=[O:29]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0