CE(MonoMe(13,5))

Properties Image MNX_ID MNXM153211 reference hmdb:HMDB0061674 formula C50H84O3 global charge 0 mol weight 733.219 InChIKey UHOBLEHHPUMPEW-UHFFFAOYSA-N InChI InChI=1S/C50H84O3/c1-8-9-18-24-41-35-39(5)47(52-41)25-19-16-14-12-10-11-13-15-17-20-26-48(51)53-42-31-33-49(6)40(36-42)27-28-43-45-30-29-44(38(4)23-21-22-37(2)3)50(45,7)34-32-46(43)49/h27,35,37-38,42-46H,8-26,28-34,36H2,1-7H3 SMILES CCCCCC1=CC(C)=C(CCCCCCCCCCCCC(=O)OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)O1 MNX internals InChI (mnx) InChI=1/C50H84O3/c1-8-9-18-24-41-35-39(5)47(52-41)25-19-16-14-12-10-11-13-15-17-20-26-48(51)53-42-31-33-49(6)40(36-42)27-28-43-45-30-29-44(38(4)23-21-22-37(2)3)50(45,7)34-32-46(43)49/h27,35,37-38,42-46H,8-26,28-34,36H2,1-7H3/t38?,42?,43?,44?,45?,46?,49?,50? SMILES (mnx) [CH3:1][CH2:8][CH2:9][CH2:18][CH2:24][C:41]1=[CH:35][C:39]([CH3:5])=[C:47]([CH2:25][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:11][CH2:13][CH2:15][CH2:17][CH2:20][CH2:26][C:48](=[O:51])[O:53][CH:42]2[CH2:31][CH2:33][C:49]3([CH3:6])[C:40](=[CH:27][CH2:28][CH:43]4[CH:45]5[CH2:30][CH2:29][CH:44]([CH:38]([CH3:4])[CH2:23][CH2:21][CH2:22][CH:37]([CH3:2])[CH3:3])[C:50]5([CH3:7])[CH2:34][CH2:32][CH:46]43)[CH2:36]2)[O:52]1

Parent-child relations graph

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