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12-O-D-Glucuronoside-13-hydroxyoctadec-9Z-enoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM1101981

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₂₄H₄₂O₁₀

charge

mass

490.2778

reference

chebi:176172

InChIKey

ZWDYIYOIBZOENK-YZGJGUBNSA-N

InChI

InChI=1S/C24H42O10/c1-2-3-10-14-17(33-24-21(30)19(28)20(29)22(34-24)23(31)32)16(25)13-11-8-6-4-5-7-9-12-15-18(26)27/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-/m1/s1

SMILES

CCCCC[C@@H](O[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O)[C@H](O)C/C=C\CCCCCCCC(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:176172 chebi:176172	12-O-D-Glucuronoside-13-hydroxyoctadec-9Z-enoate (2R,3S,4R,5R,6R)-6-[(Z,6R,7R)-17-carboxy-7-hydroxyheptadec-9-en-6-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
hmdb:HMDB0060119	12-O-D-Glucuronoside-13-hydroxyoctadec-9Z-enoate (2R,3S,4R,5R,6R)-6-{[(6R,7R,9Z)-17-carboxy-7-hydroxyheptadec-9-en-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 12-O-D-Glucuronoside-13-hydroxyoctadec-9Z-enoic acid
bigg.metabolite:CE2306 biggM:CE2306	12-O-D-glucuronoside-13-hydroxyoctadec-9Z-enoate
hmdb:HMDB60119 biggM:M_CE2306	secondary/obsolete/fantasy identifier