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CHEBI:187792 - Limocitrol 3-[alpha-L-arabinopyranosyl-(1->3)[galactosyl-(1->6)]-galactoside]

Default Structure
ChEBI IDCHEBI:187792
ChEBI NameLimocitrol 3-[alpha-L-arabinopyranosyl-(1->3)[galactosyl-(1->6)]-galactoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H44O23
Net Charge0
Average Mass832.714
Monoisotopic Mass832.22734
SMILESCOc1cc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(CO)[C@H](O)[C@H](O)C3O)[C@H](O)[C@H](O[C@@H]3OC[C@H](O)[C@H](O)C3O)C2O)ccc1O
InChIInChI=1S/C35H44O23/c1-49-13-6-10(4-5-11(13)37)27-32(21(43)16-20(42)29(50-2)25(47)31(51-3)28(16)56-27)58-35-26(48)30(57-34-23(45)17(39)12(38)8-52-34)19(41)15(55-35)9-53-33-24(46)22(44)18(40)14(7-36)54-33/h4-6,12,14-15,17-19,22-24,26,30,33-42,44-48H,7-9H2,1-3H3/t12-,14?,15?,17-,18-,19-,22-,23?,24?,26?,30-,33+,34-,35-/m0/s1
InChIKeyZHVDHQATSYKXHK-FNJKXHLESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Limocitrol 3-[alpha-L-arabinopyranosyl-(1->3)[galactosyl-(1->6)]-galactoside] (CHEBI:187792) is a flavonoids (CHEBI:72544)
Limocitrol 3-[alpha-L-arabinopyranosyl-(1->3)[galactosyl-(1->6)]-galactoside] (CHEBI:187792) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,4S,5S)-3,5-dihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxychromen-4-one
Manual XrefsDatabases
24845811ChemSpider
LMPK12113319LIPID MAPS