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compound 0127249

PropertiesImage
MNX_IDMNXM1188658 Image of MNXM1188658
referenceenvipathM:...9efc18e6a6ee
formulaC37H64O10
global charge0
mol weight668.909
InChIKeyOLIGYOWFTLICNR-UHFFFAOYSA-N
InChIInChI=1S/C37H64O10/c1-2-30(40)31(41)20-14-10-7-5-3-4-6-8-12-17-24-37(43)45-29(27-39)28-44-36(42)23-16-13-9-11-15-21-32-34(46-32)26-35-33(47-35)22-18-19-25-38/h5,7,14,20,29-35,38-41H,2-4,6,8-13,15-19,21-28H2,1H3
SMILESCCC(O)C(O)C=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC1OC1CC1OC1CCCCO
MNX internals
InChI (mnx)InChI=1/C37H64O10/c1-2-30(40)31(41)20-14-10-7-5-3-4-6-8-12-17-24-37(43)45-29(27-39)28-44-36(42)23-16-13-9-11-15-21-32-34(46-32)26-35-33(47-35)22-18-19-25-38/h5,7,14,20,29-35,38-41H,2-4,6,8-13,15-19,21-28H2,1H3/b7-5?,20-14?/t29?,30?,31?,32?,33?,34?,35? Image of MNXM1188658
SMILES (mnx)[CH3:1][CH2:2][CH:30]([CH:31]([CH:20]=[CH:14][CH2:10][CH:7]=[CH:5][CH2:3][CH2:4][CH2:6][CH2:8][CH2:12][CH2:17][CH2:24][C:37](=[O:43])[O:45][CH:29]([CH2:27][OH:39])[CH2:28][O:44][C:36]([CH2:23][CH2:16][CH2:13][CH2:9][CH2:11][CH2:15][CH2:21][CH:32]1[CH:34]([CH2:26][CH:35]2[CH:33]([CH2:22][CH2:18][CH2:19][CH2:25][OH:38])[O:47]2)[O:46]1)=[O:42])[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:...9efc18e6a6ee
envipathM:...9efc18e6a6ee
OLIGYOWFTLICNR-UHFFFAOYSA-N
compound 0127249