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12-hydroxy-13-O-D-glucuronoside-octadec-9Z-enoate

PropertiesImage
MNX_IDMNXM729331 Image of MNXM729331
referencebiggM:CE2305
formulaC24H40O10
global charge-2
mol weight488.574
InChIKeyWDJRXGFYLUIKBX-DETUFGJMSA-L
InChIInChI=1S/C24H42O10/c1-2-3-10-13-16(25)17(14-11-8-6-4-5-7-9-12-15-18(26)27)33-24-21(30)19(28)20(29)22(34-24)23(31)32/h8,11,16-17,19-22,24-25,28-30H,2-7,9-10,12-15H2,1H3,(H,26,27)(H,31,32)/p-2/t16-,17-,19-,20+,21-,22-,24-/m0/s1
SMILESCCCCC[C@H](O)[C@H](CC=CCCCCCCCC(=O)[O-])O[C@H]1O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C24H42O10/c1-2-3-10-13-16(25)17(14-11-8-6-4-5-7-9-12-15-18(26)27)33-24-21(30)19(28)20(29)22(34-24)23(31)32/h8,11,16-17,19-22,24-25,28-30H,2-7,9-10,12-15H2,1H3,(H,26,27)(H,31,32)/b11-8?/t16-,17-,19-,20+,21-,22-,24-/m0/s1 Image of MNXM729331
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:10][CH2:13][C@@H:16]([C@H:17]([CH2:14][CH:11]=[CH:8][CH2:6][CH2:4][CH2:5][CH2:7][CH2:9][CH2:12][CH2:15][C:18](=[O:26])[OH:27])[O:33][C@@H:24]1[C@@H:21]([OH:30])[C@@H:19]([OH:28])[C@@H:20]([OH:29])[C@@H:22]([C:23](=[O:31])[OH:32])[O:34]1)[OH:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE2305
biggM:CE2305
WDJRXGFYLUIKBX-DETUFGJMSA-L
12-hydroxy-13-O-D-glucuronoside-octadec-9Z-enoate

biggM:M_CE2305
secondary/obsolete/fantasy identifier