Secobryononic acid

Properties Image MNX_ID MNXM130564 reference hmdb:HMDB0040996 formula C30H46O4 global charge 0 mol weight 470.694 InChIKey GVBMRRFNKPJHKN-UHFFFAOYSA-N InChI InChI=1S/C30H46O4/c1-19(2)20-8-9-22-21(28(20,5)12-11-24(31)32)10-13-30(7)23-18-27(4,25(33)34)15-14-26(23,3)16-17-29(22,30)6/h20,23H,1,8-18H2,2-7H3,(H,31,32)(H,33,34) SMILES C=C(C)C1CCC2=C(CCC3(C)C4CC(C)(C(=O)O)CCC4(C)CCC23C)C1(C)CCC(=O)O MNX internals InChI (mnx) InChI=1/C30H46O4/c1-19(2)20-8-9-22-21(28(20,5)12-11-24(31)32)10-13-30(7)23-18-27(4,25(33)34)15-14-26(23,3)16-17-29(22,30)6/h20,23H,1,8-18H2,2-7H3,(H,31,32)(H,33,34)/t20?,23?,26?,27?,28?,29?,30? SMILES (mnx) [CH2:1]=[C:19]([CH3:2])[CH:20]1[CH2:8][CH2:9][C:22]2=[C:21]([CH2:10][CH2:13][C:30]3([CH3:7])[CH:23]4[CH2:18][C:27]([CH3:4])([C:25](=[O:33])[OH:34])[CH2:15][CH2:14][C:26]4([CH3:3])[CH2:16][CH2:17][C:29]23[CH3:6])[C:28]1([CH3:5])[CH2:12][CH2:11][C:24](=[O:31])[OH:32]

Parent-child relations graph

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