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CHEBI:197059 - Rhamnocitrin 3-rutinoside

ChEBI IDCHEBI:197059
ChEBI NameRhamnocitrin 3-rutinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O15
Net Charge0
Average Mass608.549
Monoisotopic Mass608.17412
SMILESCOc1cc(O)c2c(=O)c(O[C@@H]3OC(CO[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)[C@@H](O)C(O)C3O)c(-c3ccc(O)cc3)oc2c1
InChIInChI=1S/C28H32O15/c1-10-18(31)21(34)23(36)27(40-10)39-9-16-19(32)22(35)24(37)28(42-16)43-26-20(33)17-14(30)7-13(38-2)8-15(17)41-25(26)11-3-5-12(29)6-4-11/h3-8,10,16,18-19,21-24,27-32,34-37H,9H2,1-2H3/t10?,16?,18-,19+,21-,22?,23?,24?,27+,28-/m0/s1
InChIKeySHEMZXKUXGNYPP-QJIDSCQVSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Rhamnocitrin 3-rutinoside (CHEBI:197059) is a flavonoids (CHEBI:72544)
Rhamnocitrin 3-rutinoside (CHEBI:197059) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-2-(4-hydroxyphenyl)-7-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
LMPK12112565LIPID MAPS
24845238ChemSpider