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CHEBI:191719 - Kaempferol 3-(2G-apiosylrobinobioside)

ChEBI IDCHEBI:191719
ChEBI NameKaempferol 3-(2G-apiosylrobinobioside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38O19
Net Charge0
Average Mass726.637
Monoisotopic Mass726.20073
SMILESCC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(OC3OCC(O)(CO)C3O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C32H38O19/c1-11-19(37)22(40)24(42)29(47-11)45-8-17-20(38)23(41)27(51-31-28(43)32(44,9-33)10-46-31)30(49-17)50-26-21(39)18-15(36)6-14(35)7-16(18)48-25(26)12-2-4-13(34)5-3-12/h2-7,11,17,19-20,22-24,27-31,33-38,40-44H,8-10H2,1H3
InChIKeyPXDYLXHBUIPSMK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-(2G-apiosylrobinobioside) (CHEBI:191719) is a flavonoids (CHEBI:72544)
Kaempferol 3-(2G-apiosylrobinobioside) (CHEBI:191719) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Manual XrefsDatabases
4577007ChemSpider
HMDB0039759HMDB