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CHEBI:168227 - 12-Hydroxy-13-O-D-glucuronoside-octadec-9Z-enoate

ChEBI IDCHEBI:168227
ChEBI Name12-Hydroxy-13-O-D-glucuronoside-octadec-9Z-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H42O10
Net Charge0
Average Mass490.590
Monoisotopic Mass490.27780
SMILESCCCCC[C@H](O)[C@H](C/C=C\CCCCCCCC(=O)O)O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]1O
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)/b11-8-/t16-,17-,19-,20+,21-,22-,24-/m0/s1
InChIKeyWDJRXGFYLUIKBX-GRIBZEQKSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
12-Hydroxy-13-O-D-glucuronoside-octadec-9Z-enoate (CHEBI:168227) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
(2S,3R,4S,5S,6S)-6-[(Z,6S,7S)-17-carboxy-6-hydroxyheptadec-9-en-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0060118HMDB
30778536ChemSpider