Deacetylnomilinic acid

Properties Image MNX_ID MNXM124235 reference chebi:191773 formula C26H34O9 global charge 0 mol weight 490.549 InChIKey OZOFRBKHLATMMU-UHFFFAOYSA-N InChI InChI=1S/C26H34O9/c1-22(2,32)15-10-17(28)25(5)14(24(15,4)16(27)11-18(29)30)6-8-23(3)19(13-7-9-33-12-13)34-21(31)20-26(23,25)35-20/h7,9,12,14-16,19-20,27,32H,6,8,10-11H2,1-5H3,(H,29,30) SMILES CC(C)(O)C1CC(=O)C2(C)C(CCC3(C)C(C4=COC=C4)OC(=O)C4OC432)C1(C)C(O)CC(=O)O MNX internals InChI (mnx) InChI=1/C26H34O9/c1-22(2,32)15-10-17(28)25(5)14(24(15,4)16(27)11-18(29)30)6-8-23(3)19(13-7-9-33-12-13)34-21(31)20-26(23,25)35-20/h7,9,12,14-16,19-20,27,32H,6,8,10-11H2,1-5H3,(H,29,30)/t14?,15?,16?,19?,20?,23?,24?,25?,26? SMILES (mnx) [CH3:1][C:22]([CH3:2])([CH:15]1[CH2:10][C:17](=[O:28])[C:25]2([CH3:5])[CH:14]([CH2:6][CH2:8][C:23]3([CH3:3])[CH:19]([C:13]4=[CH:12][O:33][CH:9]=[CH:7]4)[O:34][C:21](=[O:31])[CH:20]4[C:26]32[O:35]4)[C:24]1([CH3:4])[CH:16]([CH2:11][C:18](=[O:29])[OH:30])[OH:27])[OH:32]

Parent-child relations graph

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