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LSM-4404

PropertiesImage
MNX_IDMNXM48917 Image of MNXM48917
referencechebi:93848
formulaC23H22O6
global charge0
mol weight394.423
InChIKeyBHCBWJBSVOKHRJ-UHFFFAOYSA-N
InChIInChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,11,16H,8,10H2,1-4H3
SMILESCOC1=C(OC)C=C2C(=C1)OCC1=C2C(=O)C2=C(O1)C1=C(C=C2)OC(C(C)C)C1
MNX internals
InChI (mnx)InChI=1/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,11,16H,8,10H2,1-4H3/t16? Image of MNXM48917
SMILES (mnx)[CH3:1][CH:11]([CH3:2])[CH:16]1[CH2:8][C:14]2=[C:15]([CH:6]=[CH:5][C:12]3=[C:23]2[O:29][C:20]2=[C:21]([C:13]4=[CH:7][C:18]([O:25][CH3:3])=[C:19]([O:26][CH3:4])[CH:9]=[C:17]4[O:27][CH2:10]2)[C:22]3=[O:24])[O:28]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

CHEBI:93848
chebi:93848
BHCBWJBSVOKHRJ-UHFFFAOYSA-N 		LSM-4404

lipidmaps:LMPK12060066
lipidmapsM:LMPK12060066
BHCBWJBSVOKHRJ-UHFFFAOYSA-N 		Dehydrodihydrorotenone