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compound 0133904

PropertiesImage
MNX_IDMNXM1192398 Image of MNXM1192398
referenceenvipathM:...d4ce1e325c69
formulaC37H62O10
global charge0
mol weight666.893
InChIKeySUBNJLWYMDBLJE-UHFFFAOYSA-N
InChIInChI=1S/C37H62O10/c1-3-5-7-9-16-22-33-37(47-33)30(40)20-15-12-13-18-24-36(43)45-27-28(38)26-44-35(42)23-17-11-8-10-14-19-29(39)31(41)25-34-32(46-34)21-6-4-2/h9,16,29,31-34,37,39,41H,3-8,10-15,17-27H2,1-2H3
SMILESCCCCC=CCC1OC1C(=O)CCCCCCC(=O)OCC(=O)COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC
MNX internals
InChI (mnx)InChI=1/C37H62O10/c1-3-5-7-9-16-22-33-37(47-33)30(40)20-15-12-13-18-24-36(43)45-27-28(38)26-44-35(42)23-17-11-8-10-14-19-29(39)31(41)25-34-32(46-34)21-6-4-2/h9,16,29,31-34,37,39,41H,3-8,10-15,17-27H2,1-2H3/b16-9?/t29?,31?,32?,33?,34?,37? Image of MNXM1192398
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:16][CH2:22][CH:33]1[CH:37]([C:30]([CH2:20][CH2:15][CH2:12][CH2:13][CH2:18][CH2:24][C:36](=[O:43])[O:45][CH2:27][C:28]([CH2:26][O:44][C:35]([CH2:23][CH2:17][CH2:11][CH2:8][CH2:10][CH2:14][CH2:19][CH:29]([CH:31]([CH2:25][CH:34]2[CH:32]([CH2:21][CH2:6][CH2:4][CH3:2])[O:46]2)[OH:41])[OH:39])=[O:42])=[O:38])=[O:40])[O:47]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:...d4ce1e325c69
envipathM:...d4ce1e325c69
SUBNJLWYMDBLJE-UHFFFAOYSA-N
compound 0133904