asnovolin J

Properties Image MNX_ID MNXM1128834 reference chebi:167683 formula C26H38O5 global charge 0 mol weight 430.585 InChIKey XKJJMXDQESYKLS-IGZQQFENSA-N InChI InChI=1S/C26H38O5/c1-14-9-10-17-23(4,5)18(27)11-12-25(17,7)26(14)13-24(6)16(3)19(22(29)30-8)20(28)15(2)21(24)31-26/h14,16-17,19H,9-13H2,1-8H3/t14-,16-,17-,19-,24+,25-,26-/m0/s1 SMILES COC(=O)[C@@H]1C(=O)C(C)=C2O[C@@]3(C[C@]2(C)[C@H]1C)[C@@H](C)CC[C@H]1C(C)(C)C(=O)CC[C@@]13C MNX internals InChI (mnx) InChI=1/C26H38O5/c1-14-9-10-17-23(4,5)18(27)11-12-25(17,7)26(14)13-24(6)16(3)19(22(29)30-8)20(28)15(2)21(24)31-26/h14,16-17,19H,9-13H2,1-8H3/t14-,16-,17-,19-,24+,25-,26-/m0/s1 SMILES (mnx) [CH3:1][C@H:14]1[CH2:9][CH2:10][C@H:17]2[C:23]([CH3:4])([CH3:5])[C:18](=[O:27])[CH2:11][CH2:12][C@:25]2([CH3:7])[C@:26]12[CH2:13][C@:24]1([CH3:6])[C@@H:16]([CH3:3])[C@H:19]([C:22](=[O:29])[O:30][CH3:8])[C:20](=[O:28])[C:15]([CH3:2])=[C:21]1[O:31]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0