EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:191702 - Limocitrin 3-rutinoside

ChEBI IDCHEBI:191702
ChEBI NameLimocitrin 3-rutinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O17
Net Charge0
Average Mass654.574
Monoisotopic Mass654.17960
SMILESCOc1cc(-c2oc3c(OC)c(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)ccc1O
InChIInChI=1S/C29H34O17/c1-9-17(33)20(36)22(38)28(43-9)42-8-15-18(34)21(37)23(39)29(44-15)46-27-19(35)16-12(31)7-13(32)25(41-3)26(16)45-24(27)10-4-5-11(30)14(6-10)40-2/h4-7,9,15,17-18,20-23,28-34,36-39H,8H2,1-3H3/t9?,15?,17-,18+,20-,21?,22?,23?,28+,29-/m0/s1
InChIKeySCMBTGLLYCNHPV-XELXBMEASA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Limocitrin 3-rutinoside (CHEBI:191702) is a flavonoids (CHEBI:72544)
Limocitrin 3-rutinoside (CHEBI:191702) is a glycoside (CHEBI:24400)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-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
24845722ChemSpider
LMPK12113191LIPID MAPS