EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192852 - Isovitexin 4'-O-glucoside 2''-O-arabinoside

ChEBI IDCHEBI:192852
ChEBI NameIsovitexin 4'-O-glucoside 2''-O-arabinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38O19
Net Charge0
Average Mass726.637
Monoisotopic Mass726.20073
SMILES[H][C@@]1(c2c(O)cc3oc(-c4ccc(O[C@@H]5OC(CO)[C@@H](O)C(O)C5O)cc4)cc(=O)c3c2O)OC(CO)[C@@H](O)[C@H](O)C1O[C@@H]1OC[C@H](O)[C@H](O)C1O
InChIInChI=1S/C32H38O19/c33-7-17-23(40)26(43)30(51-31-27(44)21(38)14(37)9-46-31)29(49-17)20-13(36)6-16-19(24(20)41)12(35)5-15(48-16)10-1-3-11(4-2-10)47-32-28(45)25(42)22(39)18(8-34)50-32/h1-6,14,17-18,21-23,25-34,36-45H,7-9H2/t14-,17?,18?,21-,22+,23+,25?,26-,27?,28?,29-,30?,31-,32+/m0/s1
InChIKeyGYIKGLVKALOGDP-MMUPBISGSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Isovitexin 4'-O-glucoside 2''-O-arabinoside (CHEBI:192852) is a flavonoids (CHEBI:72544)
Isovitexin 4'-O-glucoside 2''-O-arabinoside (CHEBI:192852) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-[4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Manual XrefsDatabases
24843375ChemSpider
LMPK12110321LIPID MAPS