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compound 0140987

PropertiesImage
MNX_IDMNXM1187000 Image of MNXM1187000
referenceenvipathM:...9ffffd40b03b
formulaC37H62O10
global charge0
mol weight666.893
InChIKeyPXFKAHZGDASTDL-UHFFFAOYSA-N
InChIInChI=1S/C37H62O10/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-22-25-32(41)45-28(26-38)27-44-31(40)24-21-19-16-17-20-23-30-35(46-30)34(43)37-36(47-37)33(42)29(39)4-2/h7-8,10-11,28,30,33-38,42-43H,3-6,9,12-27H2,1-2H3
SMILESCCCCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC1OC1C(O)C1OC1C(O)C(=O)CC
MNX internals
InChI (mnx)InChI=1/C37H62O10/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-22-25-32(41)45-28(26-38)27-44-31(40)24-21-19-16-17-20-23-30-35(46-30)34(43)37-36(47-37)33(42)29(39)4-2/h7-8,10-11,28,30,33-38,42-43H,3-6,9,12-27H2,1-2H3/b8-7?,11-10?/t28?,30?,33?,34?,35?,36?,37? Image of MNXM1187000
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:18][CH2:22][CH2:25][C:32](=[O:41])[O:45][CH:28]([CH2:26][OH:38])[CH2:27][O:44][C:31]([CH2:24][CH2:21][CH2:19][CH2:16][CH2:17][CH2:20][CH2:23][CH:30]1[CH:35]([CH:34]([CH:37]2[CH:36]([CH:33]([C:29]([CH2:4][CH3:2])=[O:39])[OH:42])[O:47]2)[OH:43])[O:46]1)=[O: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:...9ffffd40b03b
envipathM:...9ffffd40b03b
PXFKAHZGDASTDL-UHFFFAOYSA-N
compound 0140987