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CHEBI:196990 - Okanin 4'-gentiobioside

ChEBI IDCHEBI:196990
ChEBI NameOkanin 4'-gentiobioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O16
Net Charge0
Average Mass612.537
Monoisotopic Mass612.16903
SMILESO=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@@H](O)[C@H]2O)c(O)c1O
InChIInChI=1S/C27H32O16/c28-8-16-20(34)22(36)24(38)26(42-16)40-9-17-21(35)23(37)25(39)27(43-17)41-15-6-3-11(18(32)19(15)33)12(29)4-1-10-2-5-13(30)14(31)7-10/h1-7,16-17,20-28,30-39H,8-9H2/b4-1+/t16-,17-,20-,21-,22-,23-,24-,25-,26-,27-/m1/s1
InChIKeyRSIUIFIIPQHJPT-GXPKAAGFSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Okanin 4'-gentiobioside (CHEBI:196990) is a flavonoids (CHEBI:72544)
Okanin 4'-gentiobioside (CHEBI:196990) is a glycoside (CHEBI:24400)
IUPAC Name 
(E)-3-(3,4-dihydroxyphenyl)-1-[2,3-dihydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-en-1-one
Manual XrefsDatabases
LMPK12120166LIPID MAPS
24845928ChemSpider