Bakkenolide C

Properties Image MNX_ID MNXM119610 reference hmdb:HMDB0034999 formula C20H28O5 global charge 0 mol weight 348.439 InChIKey KVPXGWXTEOVUGO-IZZDOVSWSA-N InChI InChI=1S/C20H28O5/c1-6-11(2)17(22)25-14-8-7-12(3)19(5)10-20(16(21)15(14)19)13(4)9-24-18(20)23/h6,12,14-16,21H,4,7-10H2,1-3,5H3/b11-6+ SMILES C=C1COC(=O)C12CC1(C)C(C)CCC(OC(=O)/C(C)=C/C)C1C2O MNX internals InChI (mnx) InChI=1/C20H28O5/c1-6-11(2)17(22)25-14-8-7-12(3)19(5)10-20(16(21)15(14)19)13(4)9-24-18(20)23/h6,12,14-16,21H,4,7-10H2,1-3,5H3/b11-6+/t12?,14?,15?,16?,19?,20? SMILES (mnx) [CH3:1]/[CH:6]=[C:11](\[CH3:2])[C:17](=[O:22])[O:25][CH:14]1[CH2:8][CH2:7][CH:12]([CH3:3])[C:19]2([CH3:5])[CH2:10][C:20]3([C:13](=[CH2:4])[CH2:9][O:24][C:18]3=[O:23])[CH:16]([OH:21])[CH:15]12

Parent-child relations graph

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