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compound 0183057

PropertiesImage
MNX_IDMNXM1192826 Image of MNXM1192826
referenceenvipathM:...b1e5652dc1f0
formulaC37H62O10
global charge0
mol weight666.893
InChIKeyQMFJQCBUHFKYJS-UHFFFAOYSA-N
InChIInChI=1S/C37H62O10/c1-3-5-7-14-19-28(39)20-15-10-8-9-11-16-22-31(41)37(43)45-29(26-38)27-44-36(42)30(40)21-17-12-13-18-24-33-35(47-33)25-34-32(46-34)23-6-4-2/h14-15,19-20,28-30,32-35,38-40H,3-13,16-18,21-27H2,1-2H3
SMILESCCCCC=CC(O)C=CCCCCCCC(=O)C(=O)OC(CO)COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC
MNX internals
InChI (mnx)InChI=1/C37H62O10/c1-3-5-7-14-19-28(39)20-15-10-8-9-11-16-22-31(41)37(43)45-29(26-38)27-44-36(42)30(40)21-17-12-13-18-24-33-35(47-33)25-34-32(46-34)23-6-4-2/h14-15,19-20,28-30,32-35,38-40H,3-13,16-18,21-27H2,1-2H3/b19-14?,20-15?/t28?,29?,30?,32?,33?,34?,35? Image of MNXM1192826
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH:14]=[CH:19][CH:28]([CH:20]=[CH:15][CH2:10][CH2:8][CH2:9][CH2:11][CH2:16][CH2:22][C:31]([C:37](=[O:43])[O:45][CH:29]([CH2:26][OH:38])[CH2:27][O:44][C:36]([CH:30]([CH2:21][CH2:17][CH2:12][CH2:13][CH2:18][CH2:24][CH:33]1[CH:35]([CH2:25][CH:34]2[CH:32]([CH2:23][CH2:6][CH2:4][CH3:2])[O:46]2)[O:47]1)[OH:40])=[O:42])=[O:41])[OH: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:...b1e5652dc1f0
envipathM:...b1e5652dc1f0
QMFJQCBUHFKYJS-UHFFFAOYSA-N
compound 0183057