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compound 0114111

PropertiesImage
MNX_IDMNXM1192527 Image of MNXM1192527
referenceenvipathM:...7675e0c23182
formulaC37H66O8
global charge0
mol weight638.927
InChIKeyABMXXTUNDBGZMZ-UHFFFAOYSA-N
InChIInChI=1S/C37H66O8/c1-3-5-7-9-10-11-12-13-14-15-16-19-24-28-35(41)37(43)45-32(30-38)31-44-36(42)29-25-21-17-20-23-27-34(40)33(39)26-22-18-8-6-4-2/h9-10,12-13,18,22,32-35,38-41H,3-8,11,14-17,19-21,23-31H2,1-2H3
SMILESCCCCC=CCC=CCCCCCCC(O)C(=O)OC(CO)COC(=O)CCCCCCCC(O)C(O)CC=CCCCC
MNX internals
InChI (mnx)InChI=1/C37H66O8/c1-3-5-7-9-10-11-12-13-14-15-16-19-24-28-35(41)37(43)45-32(30-38)31-44-36(42)29-25-21-17-20-23-27-34(40)33(39)26-22-18-8-6-4-2/h9-10,12-13,18,22,32-35,38-41H,3-8,11,14-17,19-21,23-31H2,1-2H3/b10-9?,13-12?,22-18?/t32?,33?,34?,35? Image of MNXM1192527
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:24][CH2:28][CH:35]([C:37](=[O:43])[O:45][CH:32]([CH2:30][OH:38])[CH2:31][O:44][C:36]([CH2:29][CH2:25][CH2:21][CH2:17][CH2:20][CH2:23][CH2:27][CH:34]([CH:33]([CH2:26][CH:22]=[CH:18][CH2:8][CH2:6][CH2:4][CH3:2])[OH:39])[OH:40])=[O:42])[OH:41]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

envipath:...7675e0c23182
envipathM:...7675e0c23182
ABMXXTUNDBGZMZ-UHFFFAOYSA-N
compound 0114111