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compound 0183753

PropertiesImage
MNX_IDMNXM1190722 Image of MNXM1190722
referenceenvipathM:...e864b6d2f391
formulaC37H62O10
global charge0
mol weight666.893
InChIKeyYLZCNWMWRINYGB-UHFFFAOYSA-N
InChIInChI=1S/C37H62O10/c1-3-5-7-12-17-28(39)23-24-29(40)18-13-8-11-16-22-36(42)45-30(26-38)27-44-37(43)31(41)19-14-9-10-15-21-33-35(47-33)25-34-32(46-34)20-6-4-2/h12,17,23-24,29-35,38,40-41H,3-11,13-16,18-22,25-27H2,1-2H3
SMILESCCCCC=CC(=O)C=CC(O)CCCCCCC(=O)OC(CO)COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC
MNX internals
InChI (mnx)InChI=1/C37H62O10/c1-3-5-7-12-17-28(39)23-24-29(40)18-13-8-11-16-22-36(42)45-30(26-38)27-44-37(43)31(41)19-14-9-10-15-21-33-35(47-33)25-34-32(46-34)20-6-4-2/h12,17,23-24,29-35,38,40-41H,3-11,13-16,18-22,25-27H2,1-2H3/b17-12?,24-23?/t29?,30?,31?,32?,33?,34?,35? Image of MNXM1190722
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH:12]=[CH:17][C:28]([CH:23]=[CH:24][CH:29]([CH2:18][CH2:13][CH2:8][CH2:11][CH2:16][CH2:22][C:36](=[O:42])[O:45][CH:30]([CH2:26][OH:38])[CH2:27][O:44][C:37]([CH:31]([CH2:19][CH2:14][CH2:9][CH2:10][CH2:15][CH2:21][CH:33]1[CH:35]([CH2:25][CH:34]2[CH:32]([CH2:20][CH2:6][CH2:4][CH3:2])[O:46]2)[O:47]1)[OH:41])=[O:43])[OH:40])=[O:39]
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:...e864b6d2f391
envipathM:...e864b6d2f391
YLZCNWMWRINYGB-UHFFFAOYSA-N
compound 0183753