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compound 0142953

PropertiesImage
MNX_IDMNXM1172382 Image of MNXM1172382
referenceenvipathM:...c2b18bfeb19d
formulaC37H63O8
global charge-1
mol weight635.903
InChIKeyHYOBNQDYRYUTSU-UHFFFAOYSA-M
InChIInChI=1S/C37H64O8/c1-3-5-7-13-20-26-32-33(44-32)27-21-15-12-17-22-28-35(39)43-30-34(37(41)42)45-36(40)29-23-16-11-9-10-14-19-25-31(38)24-18-8-6-4-2/h18-19,24-25,31-34,38H,3-17,20-23,26-30H2,1-2H3,(H,41,42)/p-1
SMILESCCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCCC)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C37H64O8/c1-3-5-7-13-20-26-32-33(44-32)27-21-15-12-17-22-28-35(39)43-30-34(37(41)42)45-36(40)29-23-16-11-9-10-14-19-25-31(38)24-18-8-6-4-2/h18-19,24-25,31-34,38H,3-17,20-23,26-30H2,1-2H3,(H,41,42)/b24-18?,25-19?/t31?,32?,33?,34? Image of MNXM1172382
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:13][CH2:20][CH2:26][CH:32]1[CH:33]([CH2:27][CH2:21][CH2:15][CH2:12][CH2:17][CH2:22][CH2:28][C:35](=[O:39])[O:43][CH2:30][CH:34]([C:37](=[O:41])[OH:42])[O:45][C:36]([CH2:29][CH2:23][CH2:16][CH2:11][CH2:9][CH2:10][CH2:14][CH:19]=[CH:25][CH:31]([CH:24]=[CH:18][CH2:8][CH2:6][CH2:4][CH3:2])[OH:38])=[O:40])[O:44]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:...c2b18bfeb19d
envipathM:...c2b18bfeb19d
HYOBNQDYRYUTSU-UHFFFAOYSA-M
compound 0142953