EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:177968 - 7,3',4'-Trihydroxyflavone 7-rutinoside

ChEBI IDCHEBI:177968
ChEBI Name7,3',4'-Trihydroxyflavone 7-rutinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O14
Net Charge0
Average Mass578.523
Monoisotopic Mass578.16356
SMILESCC1O[C@@H](OCC2O[C@@H](Oc3ccc4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)C(O)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-19-21(32)23(34)25(36)27(41-19)39-12-3-4-13-15(29)8-17(40-18(13)7-12)11-2-5-14(28)16(30)6-11/h2-8,10,19-28,30-36H,9H2,1H3/t10?,19?,20-,21+,22-,23-,24?,25?,26+,27+/m0/s1
InChIKeyXEGFGSKULOVWMZ-WHURFGGPSA-N
Species of MetaboliteComponentSourceComments
Bombyx mori (ncbitaxon:7091) hemolymph (BTO:0000572) Article
ChEBI Ontology
Outgoing Relation(s)
7,3',4'-Trihydroxyflavone 7-rutinoside (CHEBI:177968) is a flavonoids (CHEBI:72544)
7,3',4'-Trihydroxyflavone 7-rutinoside (CHEBI:177968) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-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
24843166ChemSpider
LMPK12110039LIPID MAPS