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compound 0123080

PropertiesImage
MNX_IDMNXM1179819 Image of MNXM1179819
referenceenvipathM:...65cdc877374a
formulaC37H66O8
global charge0
mol weight638.927
InChIKeyDBZBGDICKLFAFA-UHFFFAOYSA-N
InChIInChI=1S/C37H66O8/c1-2-3-4-15-21-26-34-35(45-34)27-22-17-14-18-23-28-36(41)43-31-32(30-39)44-37(42)33(40)25-20-16-12-10-8-6-5-7-9-11-13-19-24-29-38/h9,11,15,21,32-35,38-40H,2-8,10,12-14,16-20,22-31H2,1H3
SMILESCCCCC=CCC1OC1CCCCCCCC(=O)OCC(CO)OC(=O)C(O)CCCCCCCCCC=CCCCCO
MNX internals
InChI (mnx)InChI=1/C37H66O8/c1-2-3-4-15-21-26-34-35(45-34)27-22-17-14-18-23-28-36(41)43-31-32(30-39)44-37(42)33(40)25-20-16-12-10-8-6-5-7-9-11-13-19-24-29-38/h9,11,15,21,32-35,38-40H,2-8,10,12-14,16-20,22-31H2,1H3/b11-9?,21-15?/t32?,33?,34?,35? Image of MNXM1179819
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH:15]=[CH:21][CH2:26][CH:34]1[CH:35]([CH2:27][CH2:22][CH2:17][CH2:14][CH2:18][CH2:23][CH2:28][C:36](=[O:41])[O:43][CH2:31][CH:32]([CH2:30][OH:39])[O:44][C:37]([CH:33]([CH2:25][CH2:20][CH2:16][CH2:12][CH2:10][CH2:8][CH2:6][CH2:5][CH2:7][CH:9]=[CH:11][CH2:13][CH2:19][CH2:24][CH2:29][OH:38])[OH:40])=[O:42])[O:45]1
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:...65cdc877374a
envipathM:...65cdc877374a
DBZBGDICKLFAFA-UHFFFAOYSA-N
compound 0123080