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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 12-Hydroxy-13-O-D-glucuronoside-octadec-9Z-enoate
ChEBI ID CHEBI:168227
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H42O10
Net Charge 0
Average Mass 490.590
Monoisotopic Mass 490.27780
InChI InChI=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
InChIKey WDJRXGFYLUIKBX-GRIBZEQKSA-N
SMILES O([C@H]1O[C@@H]([C@H](O)[C@H](O)[C@@H]1O)C(O)=O)[C@H]([C@@H](O)CCCCC)C/C=C\CCCCCCCC(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
30778536 ChemSpider
HMDB0060118 HMDB
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