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compound 0118828

PropertiesImage
MNX_IDMNXM1170812 Image of MNXM1170812
referenceenvipathM:...916720572b6d
formulaC37H64O8
global charge0
mol weight636.911
InChIKeyJZEALTFSOXXWPZ-UHFFFAOYSA-N
InChIInChI=1S/C37H64O8/c1-2-3-4-16-21-26-34(40)35(41)27-22-17-15-19-23-28-36(42)44-32-33(31-39)45-37(43)29-24-18-13-11-9-7-5-6-8-10-12-14-20-25-30-38/h5-6,10,12,16,21,30,33-35,39-41H,2-4,7-9,11,13-15,17-20,22-29,31-32H2,1H3
SMILESCCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CCCCC=O
MNX internals
InChI (mnx)InChI=1/C37H64O8/c1-2-3-4-16-21-26-34(40)35(41)27-22-17-15-19-23-28-36(42)44-32-33(31-39)45-37(43)29-24-18-13-11-9-7-5-6-8-10-12-14-20-25-30-38/h5-6,10,12,16,21,30,33-35,39-41H,2-4,7-9,11,13-15,17-20,22-29,31-32H2,1H3/b6-5?,12-10?,21-16?/t33?,34?,35? Image of MNXM1170812
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH:16]=[CH:21][CH2:26][CH:34]([CH:35]([CH2:27][CH2:22][CH2:17][CH2:15][CH2:19][CH2:23][CH2:28][C:36](=[O:42])[O:44][CH2:32][CH:33]([CH2:31][OH:39])[O:45][C:37]([CH2:29][CH2:24][CH2:18][CH2:13][CH2:11][CH2:9][CH2:7][CH:5]=[CH:6][CH2:8][CH:10]=[CH:12][CH2:14][CH2:20][CH2:25][CH:30]=[O:38])=[O:43])[OH:41])[OH:40]
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:...916720572b6d
envipathM:...916720572b6d
JZEALTFSOXXWPZ-UHFFFAOYSA-N
compound 0118828