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12S-HHT

PropertiesImage
MNX_IDMNXM728292 Image of MNXM728292
referencebiggM:CE1243
formulaC17H26O3
global charge0
mol weight278.392
InChIKeySRXHUEDHCZMBHJ-VBGPEQDQSA-N
InChIInChI=1S/C17H26O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,13-14,18H,2-4,9-10,12,15H2,1H3,(H,19,20)/b7-5-,8-6+,14-11+,16-13?
SMILESCCCCC=C(O)/C=C/C=C/C/C=C\CCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C17H26O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,13-14,18H,2-4,9-10,12,15H2,1H3,(H,19,20)/b7-5-,8-6+,14-11+,16-13- Image of MNXM728292
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:10]/[CH:13]=[C:16](/[CH:14]=[CH:11]/[CH:8]=[CH:6]/[CH2:4]/[CH:5]=[CH:7]\[CH2:9][CH2:12][CH2:15][C:17](=[O:19])[OH:20])[OH:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE1243
biggM:CE1243
SRXHUEDHCZMBHJ-VBGPEQDQSA-N 		12S-HHT

biggM:M_CE1243 		secondary/obsolete/fantasy identifier