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9-Hydroxy-10-O-D-glucuronoside-12Z-octadecenoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM1102003

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

formula

C₂₄H₄₂O₁₀

charge

mass

490.2778

reference

chebi:176174

InChIKey

OERHNMHLKBHOMH-GRIBZEQKSA-N

InChI

InChI=1S/C24H42O10/c1-2-3-4-5-8-11-14-17(16(25)13-10-7-6-9-12-15-18(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

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:176174 chebi:176174	9-Hydroxy-10-O-D-glucuronoside-12Z-octadecenoate (2S,3R,4S,5S,6S)-6-[(Z,9S,10S)-17-carboxy-10-hydroxyheptadec-6-en-9-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
hmdb:HMDB0060121	9-Hydroxy-10-O-D-glucuronoside-12Z-octadecenoate (2S,3R,4S,5S,6S)-6-{[(6Z,9S,10S)-17-carboxy-10-hydroxyheptadec-6-en-9-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 9-Hydroxy-10-O-D-glucuronoside-12Z-octadecenoic acid
bigg.metabolite:CE2303 biggM:CE2303	9-hydroxy-10-O-D-glucuronoside-12Z-octadecenoate
hmdb:HMDB60121 biggM:M_CE2303	secondary/obsolete/fantasy identifier