Abyssinone V 4'-methyl ether

Properties Image MNX_ID MNXM39905 reference lipidmapsM:LMPK12140349 formula C26H30O5 global charge 0 mol weight 422.521 InChIKey JHEBMTRMMJXPTM-QHCPKHFHSA-N InChI InChI=1S/C26H30O5/c1-15(2)6-8-17-10-19(11-18(26(17)30-5)9-7-16(3)4)23-14-22(29)25-21(28)12-20(27)13-24(25)31-23/h6-7,10-13,23,27-28H,8-9,14H2,1-5H3/t23-/m0/s1 SMILES COC1=C(CC=C(C)C)C=C([C@@H]2CC(=O)C3=C(C=C(O)C=C3O)O2)C=C1CC=C(C)C MNX internals InChI (mnx) InChI=1/C26H30O5/c1-15(2)6-8-17-10-19(11-18(26(17)30-5)9-7-16(3)4)23-14-22(29)25-21(28)12-20(27)13-24(25)31-23/h6-7,10-13,23,27-28H,8-9,14H2,1-5H3/t23-/m0/s1 SMILES (mnx) [CH3:1][C:15]([CH3:2])=[CH:6][CH2:8][C:17]1=[CH:10][C:19]([C@@H:23]2[CH2:14][C:22](=[O:29])[C:25]3=[C:21]([OH:28])[CH:12]=[C:20]([OH:27])[CH:13]=[C:24]3[O:31]2)=[CH:11][C:18]([CH2:9][CH:7]=[C:16]([CH3:3])[CH3:4])=[C:26]1[O:30][CH3:5]

Parent-child relations graph

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