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CHEBI:192886 - Quercetin 7-rutinoside

ChEBI IDCHEBI:192886
ChEBI NameQuercetin 7-rutinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O16
Net Charge0
Average Mass610.521
Monoisotopic Mass610.15338
SMILESCC1O[C@@H](OCC2O[C@@H](Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c3)C(O)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C27H30O16/c1-8-17(31)20(34)23(37)26(40-8)39-7-15-18(32)21(35)24(38)27(43-15)41-10-5-13(30)16-14(6-10)42-25(22(36)19(16)33)9-2-3-11(28)12(29)4-9/h2-6,8,15,17-18,20-21,23-24,26-32,34-38H,7H2,1H3/t8?,15?,17-,18+,20-,21-,23?,24?,26+,27+/m0/s1
InChIKeyIVTMALDHFAHOGL-ICNYXEQFSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS4099) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Quercetin 7-rutinoside (CHEBI:192886) is a flavonoids (CHEBI:72544)
Quercetin 7-rutinoside (CHEBI:192886) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2S,4S,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
24844923ChemSpider
LMPK12112203LIPID MAPS