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CHEBI:197043 - Laricitrin 3-rutinoside

ChEBI IDCHEBI:197043
ChEBI NameLaricitrin 3-rutinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O17
Net Charge0
Average Mass640.547
Monoisotopic Mass640.16395
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)[C@H](O)C3O)[C@@H](O)C(O)C2O)cc(O)c1O
InChIInChI=1S/C28H32O17/c1-8-17(32)21(36)23(38)27(42-8)41-7-15-19(34)22(37)24(39)28(44-15)45-26-20(35)16-11(30)5-10(29)6-13(16)43-25(26)9-3-12(31)18(33)14(4-9)40-2/h3-6,8,15,17,19,21-24,27-34,36-39H,7H2,1-2H3/t8?,15?,17-,19+,21-,22?,23?,24?,27+,28-/m0/s1
InChIKeyIEPKWJCBNGNVDF-VZIOTDLESA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Laricitrin 3-rutinoside (CHEBI:197043) is a flavonoids (CHEBI:72544)
Laricitrin 3-rutinoside (CHEBI:197043) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
24845160ChemSpider
LMPK12112472LIPID MAPS