compound 0080089

Properties Image MNX_ID MNXM1179204 reference envipathM:...098c0114cb62 formula C20H24O5 global charge 0 mol weight 344.407 InChIKey NSNBCOGCAVUFLT-UHFFFAOYSA-N InChI InChI=1S/C20H24O5/c1-3-18(23)7-9-20(25)16-11-15(22)13-10-12(21)4-5-14(13)19(16,24)8-6-17(18,20)2/h1,4-5,10,15-16,21-25H,6-9,11H2,2H3 SMILES C#CC1(O)CCC2(O)C3CC(O)C4=CC(O)=CC=C4C3(O)CCC12C MNX internals InChI (mnx) InChI=1/C20H24O5/c1-3-18(23)7-9-20(25)16-11-15(22)13-10-12(21)4-5-14(13)19(16,24)8-6-17(18,20)2/h1,4-5,10,15-16,21-25H,6-9,11H2,2H3/t15?,16?,17?,18?,19?,20? SMILES (mnx) [CH:1]#[C:3][C:18]1([OH:23])[CH2:7][CH2:9][C:20]2([OH:25])[CH:16]3[CH2:11][CH:15]([OH:22])[C:13]4=[C:14]([CH:5]=[CH:4][C:12]([OH:21])=[CH:10]4)[C:19]3([OH:24])[CH2:8][CH2:6][C:17]12[CH3:2]

Parent-child relations graph

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