Caryoynencin A

Properties Image MNX_ID MNXM1129186 reference lipidmapsM:LMFA01031206 formula C18H16O3 global charge 0 mol weight 280.323 InChIKey GOOGOKNSXZDSND-XUDQBFGESA-N InChI InChI=1S/C18H16O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h1,9-11,14,17,19H,12-13,15-16H2,(H,20,21)/b10-9+,14-11+/t17-/m1/s1 SMILES C#CC#CC#CC#C/C=C/C=C/[C@@H](O)CCCCC(=O)O MNX internals InChI (mnx) InChI=1/C18H16O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h1,9-11,14,17,19H,12-13,15-16H2,(H,20,21)/b10-9+,14-11+/t17-/m1/s1 SMILES (mnx) [CH:1]#[C:2][C:3]#[C:4][C:5]#[C:6][C:7]#[C:8]/[CH:9]=[CH:10]/[CH:11]=[CH:14]/[C@H:17]([CH2:15][CH2:12][CH2:13][CH2:16][C:18](=[O:20])[OH:21])[OH:19]

Parent-child relations graph

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