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compound 0171539

PropertiesImage
MNX_IDMNXM1176693 Image of MNXM1176693
referenceenvipathM:...aeb55436e913
formulaC37H64O8
global charge0
mol weight636.911
InChIKeyFYHZYLNBWMVPSS-UHFFFAOYSA-N
InChIInChI=1S/C37H64O8/c1-2-23-32(40)24-17-11-7-5-3-4-6-8-14-21-28-37(42)44-33(30-39)31-43-36(41)27-20-15-9-12-18-25-34-35(45-34)26-19-13-10-16-22-29-38/h13,17,19,24,30,32-35,38,40H,2-12,14-16,18,20-23,25-29,31H2,1H3
SMILESCCCC(O)C=CCCCCCCCCCCC(=O)OC(C=O)COC(=O)CCCCCCCC1OC1CC=CCCCCO
MNX internals
InChI (mnx)InChI=1/C37H64O8/c1-2-23-32(40)24-17-11-7-5-3-4-6-8-14-21-28-37(42)44-33(30-39)31-43-36(41)27-20-15-9-12-18-25-34-35(45-34)26-19-13-10-16-22-29-38/h13,17,19,24,30,32-35,38,40H,2-12,14-16,18,20-23,25-29,31H2,1H3/b19-13?,24-17?/t32?,33?,34?,35? Image of MNXM1176693
SMILES (mnx)[CH3:1][CH2:2][CH2:23][CH:32]([CH:24]=[CH:17][CH2:11][CH2:7][CH2:5][CH2:3][CH2:4][CH2:6][CH2:8][CH2:14][CH2:21][CH2:28][C:37](=[O:42])[O:44][CH:33]([CH:30]=[O:39])[CH2:31][O:43][C:36]([CH2:27][CH2:20][CH2:15][CH2:9][CH2:12][CH2:18][CH2:25][CH:34]1[CH:35]([CH2:26][CH:19]=[CH:13][CH2:10][CH2:16][CH2:22][CH2:29][OH:38])[O:45]1)=[O:41])[OH: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:...aeb55436e913
envipathM:...aeb55436e913
FYHZYLNBWMVPSS-UHFFFAOYSA-N
compound 0171539