EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:187034 - Laricitrin 3-rutinoside-7-glucoside

ChEBI IDCHEBI:187034
ChEBI NameLaricitrin 3-rutinoside-7-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H42O22
Net Charge0
Average Mass802.688
Monoisotopic Mass802.21677
SMILESCOc1cc(-c2oc3cc(O[C@@H]4OC(CO)[C@@H](O)C(O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)C(O)C3O)[C@@H](O)C(O)C2O)cc(O)c1O
InChIInChI=1S/C34H42O22/c1-9-19(38)24(43)27(46)32(51-9)50-8-17-22(41)26(45)29(48)34(55-17)56-31-23(42)18-12(36)5-11(52-33-28(47)25(44)21(40)16(7-35)54-33)6-14(18)53-30(31)10-3-13(37)20(39)15(4-10)49-2/h3-6,9,16-17,19,21-22,24-29,32-41,43-48H,7-8H2,1-2H3/t9?,16?,17?,19-,21+,22+,24?,25?,26?,27?,28?,29?,32+,33+,34-/m0/s1
InChIKeyOKKLDYKZUSTYOZ-JNAQTRDPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Laricitrin 3-rutinoside-7-glucoside (CHEBI:187034) is a flavonoids (CHEBI:72544)
Laricitrin 3-rutinoside-7-glucoside (CHEBI:187034) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-7-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12112474LIPID MAPS