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CHEBI:186305 - 3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl-(1-2)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid

ChEBI IDCHEBI:186305
ChEBI Name3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl-(1-2)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H74O14
Net Charge0
Average Mass803.040
Monoisotopic Mass802.50786
SMILESCCCCCCC/C=C/C(=O)O[C@@H]1C(O[C@@H]2C(OC(CCCCCCC)CC(=O)OC(CCCCCCC)CC(=O)O)OC(C)[C@H](O)C2O)OC(C)[C@H](O)C1O
InChIInChI=1S/C42H74O14/c1-6-9-12-15-16-19-22-25-33(45)55-39-37(49)35(47)29(5)52-42(39)56-40-38(50)36(48)28(4)51-41(40)54-31(24-21-18-14-11-8-3)27-34(46)53-30(26-32(43)44)23-20-17-13-10-7-2/h22,25,28-31,35-42,47-50H,6-21,23-24,26-27H2,1-5H3,(H,43,44)/b25-22+/t28?,29?,30?,31?,35-,36-,37?,38?,39-,40-,41?,42?/m0/s1
InChIKeyPTDAXISVTVRQGK-WIKPZRNTSA-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-(1-2)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid (CHEBI:186305) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
3-[3-[(3S,5R)-3-[(3S,5R)-3-[(E)-dec-2-enoyl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxydecanoyloxy]decanoic acid
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LMFA13030007LIPID MAPS