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CHEBI:185713 - 3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid

ChEBI IDCHEBI:185713
ChEBI Name3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H64O10
Net Charge0
Average Mass656.898
Monoisotopic Mass656.44995
SMILESCCCCCCC/C=C/C(=O)O[C@@H]1C(OC(CCCCCCC)CC(=O)OC(CCCCCCC)CC(=O)O)OC(C)[C@H](O)C1O
InChIInChI=1S/C36H64O10/c1-5-8-11-14-15-18-21-24-31(39)46-35-34(42)33(41)27(4)43-36(35)45-29(23-20-17-13-10-7-3)26-32(40)44-28(25-30(37)38)22-19-16-12-9-6-2/h21,24,27-29,33-36,41-42H,5-20,22-23,25-26H2,1-4H3,(H,37,38)/b24-21+/t27?,28?,29?,33-,34?,35-,36?/m0/s1
InChIKeyLCKJKDMAMQKASH-GHXRWXCRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid (CHEBI:185713) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
3-[3-[(3S,5R)-3-[(E)-dec-2-enoyl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxydecanoyloxy]decanoic acid
Manual XrefsDatabases
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