andilesin B

Properties Image MNX_ID MNXM148077 reference chebi:223328 formula C25H30O5 global charge 0 mol weight 410.51 InChIKey KGCUDIJFRQOVLG-ZLRFBPIASA-N InChI InChI=1S/C25H30O5/c1-20(2)15-6-9-24-12-21(3)10-14-18(27)29-13-25(14,24)23(5,19(21)28)11-16(24)22(15,4)8-7-17(26)30-20/h7-8,10,15-16H,6,9,11-13H2,1-5H3/t15-,16-,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=C5C(=O)OC[C@]51[C@@](C)(C[C@@H]23)C4=O MNX internals InChI (mnx) InChI=1/C25H30O5/c1-20(2)15-6-9-24-12-21(3)10-14-18(27)29-13-25(14,24)23(5,19(21)28)11-16(24)22(15,4)8-7-17(26)30-20/h7-8,10,15-16H,6,9,11-13H2,1-5H3/t15-,16-,21+,22-,23?,24-,25+/m0/s1 SMILES (mnx) [CH3:1][C:20]1([CH3:2])[C@@H:15]2[CH2:6][CH2:9][C@@:24]34[CH2:12][C@@:21]5([CH3:3])[CH:10]=[C:14]6[C:18](=[O:27])[O:29][CH2:13][C@:25]63[C@@:23]([CH3:5])([CH2:11][C@H:16]4[C@@:22]2([CH3:4])[CH:8]=[CH:7][C:17](=[O:26])[O:30]1)[C:19]5=[O:28]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0