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compound 0056244

PropertiesImage
MNX_IDMNXM1189614 Image of MNXM1189614
referenceenvipathM:...d1d904db0eab
formulaC28H47O9
global charge-1
mol weight527.675
InChIKeyJFAXGYINICHKRG-UHFFFAOYSA-M
InChIInChI=1S/C28H48O9/c1-27(2,3)23-28(4,5)24-6-8-25(9-7-24)37-21-20-35-17-16-33-13-12-31-10-11-32-14-15-34-18-19-36-22-26(29)30/h6-9H,10-23H2,1-5H3,(H,29,30)/p-1
SMILESCC(C)(C)CC(C)(C)C1=CC=C(OCCOCCOCCOCCOCCOCCOCC(=O)[O-])C=C1
MNX internals
InChI (mnx)InChI=1/C28H48O9/c1-27(2,3)23-28(4,5)24-6-8-25(9-7-24)37-21-20-35-17-16-33-13-12-31-10-11-32-14-15-34-18-19-36-22-26(29)30/h6-9H,10-23H2,1-5H3,(H,29,30) Image of MNXM1189614
SMILES (mnx)[CH3:1][C:27]([CH3:2])([CH3:3])[CH2:23][C:28]([CH3:4])([CH3:5])[C:24]1=[CH:7][CH:9]=[C:25]([O:37][CH2:21][CH2:20][O:35][CH2:17][CH2:16][O:33][CH2:13][CH2:12][O:31][CH2:10][CH2:11][O:32][CH2:14][CH2:15][O:34][CH2:18][CH2:19][O:36][CH2:22][C:26](=[O:29])[OH:30])[CH:8]=[CH:6]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:...d1d904db0eab
envipathM:...d1d904db0eab
JFAXGYINICHKRG-UHFFFAOYSA-M
compound 0056244