3'-(1''-(3-Methylbutanoyl))-angeloyl vaginidiol

Properties Image MNX_ID MNXM117146 reference hmdb:HMDB0040691 formula C24H28O7 global charge 0 mol weight 428.481 InChIKey HQKAYCHMYMSSEQ-AUWJEWJLSA-N InChI InChI=1S/C24H28O7/c1-7-14(4)23(27)30-21-19-16(10-8-15-9-11-17(25)29-20(15)19)28-22(21)24(5,6)31-18(26)12-13(2)3/h7-11,13,21-22H,12H2,1-6H3/b14-7- SMILES C/C=C(/C)C(=O)OC1C2=C(C=CC3=C2OC(=O)C=C3)OC1C(C)(C)OC(=O)CC(C)C MNX internals InChI (mnx) InChI=1/C24H28O7/c1-7-14(4)23(27)30-21-19-16(10-8-15-9-11-17(25)29-20(15)19)28-22(21)24(5,6)31-18(26)12-13(2)3/h7-11,13,21-22H,12H2,1-6H3/b14-7-/t21?,22? SMILES (mnx) [CH3:1]/[CH:7]=[C:14](/[CH3:4])[C:23](=[O:27])[O:30][CH:21]1[C:19]2=[C:16]([CH:10]=[CH:8][C:15]3=[C:20]2[O:29][C:17](=[O:25])[CH:11]=[CH:9]3)[O:28][CH:22]1[C:24]([CH3:5])([CH3:6])[O:31][C:18]([CH2:12][CH:13]([CH3:2])[CH3:3])=[O:26]

Parent-child relations graph

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