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compound 0112539

PropertiesImage
MNX_IDMNXM1174940 Image of MNXM1174940
referenceenvipathM:...3371c5114b0e
formulaC37H64O10
global charge0
mol weight668.909
InChIKeyGOELQTHXWAVJGN-UHFFFAOYSA-N
InChIInChI=1S/C37H64O10/c1-2-3-19-30-33(45-30)25-34-31(46-34)20-13-6-4-8-15-22-35(41)43-26-28(39)27-44-36(42)23-16-10-9-12-18-29(40)37-32(47-37)21-14-7-5-11-17-24-38/h7,14,28-34,37-40H,2-6,8-13,15-27H2,1H3
SMILESCCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC(O)C1OC1CC=CCCCCO
MNX internals
InChI (mnx)InChI=1/C37H64O10/c1-2-3-19-30-33(45-30)25-34-31(46-34)20-13-6-4-8-15-22-35(41)43-26-28(39)27-44-36(42)23-16-10-9-12-18-29(40)37-32(47-37)21-14-7-5-11-17-24-38/h7,14,28-34,37-40H,2-6,8-13,15-27H2,1H3/b14-7?/t28?,29?,30?,31?,32?,33?,34?,37? Image of MNXM1174940
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:19][CH:30]1[CH:33]([CH2:25][CH:34]2[CH:31]([CH2:20][CH2:13][CH2:6][CH2:4][CH2:8][CH2:15][CH2:22][C:35](=[O:41])[O:43][CH2:26][CH:28]([CH2:27][O:44][C:36]([CH2:23][CH2:16][CH2:10][CH2:9][CH2:12][CH2:18][CH:29]([CH:37]3[CH:32]([CH2:21][CH:14]=[CH:7][CH2:5][CH2:11][CH2:17][CH2:24][OH:38])[O:47]3)[OH:40])=[O:42])[OH:39])[O:46]2)[O:45]1
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:...3371c5114b0e
envipathM:...3371c5114b0e
GOELQTHXWAVJGN-UHFFFAOYSA-N
compound 0112539