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compound 0135495

PropertiesImage
MNX_IDMNXM1172615 Image of MNXM1172615
referenceenvipathM:...6e33b0b00da9
formulaC37H64O10
global charge0
mol weight668.909
InChIKeyFZJSLJSALJNDDN-UHFFFAOYSA-N
InChIInChI=1S/C37H64O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-25-36(44)46-30(28-39)29-45-35(43)24-18-16-15-17-23-32(41)37-34(47-37)27-33(42)31(40)22-20-21-26-38/h5-6,8-9,30-32,34,37-41H,2-4,7,10-29H2,1H3
SMILESCCCCC=CCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC(O)C1OC1CC(=O)C(O)CCCCO
MNX internals
InChI (mnx)InChI=1/C37H64O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-25-36(44)46-30(28-39)29-45-35(43)24-18-16-15-17-23-32(41)37-34(47-37)27-33(42)31(40)22-20-21-26-38/h5-6,8-9,30-32,34,37-41H,2-4,7,10-29H2,1H3/b6-5?,9-8?/t30?,31?,32?,34?,37? Image of MNXM1172615
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH:5]=[CH:6][CH2:7][CH:8]=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:19][CH2:25][C:36](=[O:44])[O:46][CH:30]([CH2:28][OH:39])[CH2:29][O:45][C:35]([CH2:24][CH2:18][CH2:16][CH2:15][CH2:17][CH2:23][CH:32]([CH:37]1[CH:34]([CH2:27][C:33]([CH:31]([CH2:22][CH2:20][CH2:21][CH2:26][OH:38])[OH:40])=[O:42])[O:47]1)[OH:41])=[O:43]
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:...6e33b0b00da9
envipathM:...6e33b0b00da9
FZJSLJSALJNDDN-UHFFFAOYSA-N
compound 0135495