CE(DiMe(11,3))

Properties Image MNX_ID MNXM153204 reference hmdb:HMDB0061667 formula C47H78O3 global charge 0 mol weight 691.138 InChIKey GWPOWQHYFOHQNJ-UHFFFAOYSA-N InChI InChI=1S/C47H78O3/c1-9-19-43-35(5)36(6)44(50-43)22-16-14-12-10-11-13-15-17-23-45(48)49-38-28-30-46(7)37(32-38)24-25-39-41-27-26-40(34(4)21-18-20-33(2)3)47(41,8)31-29-42(39)46/h24,33-34,38-42H,9-23,25-32H2,1-8H3 SMILES CCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)O1 MNX internals InChI (mnx) InChI=1/C47H78O3/c1-9-19-43-35(5)36(6)44(50-43)22-16-14-12-10-11-13-15-17-23-45(48)49-38-28-30-46(7)37(32-38)24-25-39-41-27-26-40(34(4)21-18-20-33(2)3)47(41,8)31-29-42(39)46/h24,33-34,38-42H,9-23,25-32H2,1-8H3/t34?,38?,39?,40?,41?,42?,46?,47? SMILES (mnx) [CH3:1][CH2:9][CH2:19][C:43]1=[C:35]([CH3:5])[C:36]([CH3:6])=[C:44]([CH2:22][CH2:16][CH2:14][CH2:12][CH2:10][CH2:11][CH2:13][CH2:15][CH2:17][CH2:23][C:45](=[O:48])[O:49][CH:38]2[CH2:28][CH2:30][C:46]3([CH3:7])[C:37](=[CH:24][CH2:25][CH:39]4[CH:41]5[CH2:27][CH2:26][CH:40]([CH:34]([CH3:4])[CH2:21][CH2:18][CH2:20][CH:33]([CH3:2])[CH3:3])[C:47]5([CH3:8])[CH2:31][CH2:29][CH:42]43)[CH2:32]2)[O:50]1

Parent-child relations graph

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