EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192434 - Isorhamnetin 3-glucosyl-(1->2)-galactoside-7-glucoside

ChEBI IDCHEBI:192434
ChEBI NameIsorhamnetin 3-glucosyl-(1->2)-galactoside-7-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H42O22
Net Charge0
Average Mass802.688
Monoisotopic Mass802.21677
SMILESCOc1cc(-c2oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(CO)[C@H](O)C(O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)ccc1O
InChIInChI=1S/C34H42O22/c1-49-14-4-10(2-3-12(14)38)29-30(23(43)19-13(39)5-11(6-15(19)51-29)50-32-27(47)24(44)20(40)16(7-35)52-32)55-34-31(26(46)22(42)18(9-37)54-34)56-33-28(48)25(45)21(41)17(8-36)53-33/h2-6,16-18,20-22,24-28,31-42,44-48H,7-9H2,1H3/t16?,17?,18?,20-,21-,22+,24+,25?,26?,27?,28-,31?,32-,33+,34+/m1/s1
InChIKeyGFXVHGLRIICEQY-KSBHZYNYSA-N
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
Isorhamnetin 3-glucosyl-(1->2)-galactoside-7-glucoside (CHEBI:192434) is a flavonoids (CHEBI:72544)
Isorhamnetin 3-glucosyl-(1->2)-galactoside-7-glucoside (CHEBI:192434) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
24845024ChemSpider
LMPK12112329LIPID MAPS