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CHEBI:180799 - Demethyloleuropein

ChEBI IDCHEBI:180799
ChEBI NameDemethyloleuropein
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O13
Net Charge0
Average Mass526.491
Monoisotopic Mass526.16864
SMILESC/C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1CC(=O)OCCc1ccc(O)c(O)c1
InChIInChI=1S/C24H30O13/c1-2-12-13(8-18(28)34-6-5-11-3-4-15(26)16(27)7-11)14(22(32)33)10-35-23(12)37-24-21(31)20(30)19(29)17(9-25)36-24/h2-4,7,10,13,17,19-21,23-27,29-31H,5-6,8-9H2,1H3,(H,32,33)/b12-2+/t13-,17+,19+,20-,21+,23-,24-/m0/s1
InChIKeyHKVGJQVJNQRJPO-VTDDDATNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
Demethyloleuropein (CHEBI:180799) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
(4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
Manual XrefsDatabases
4952913ChemSpider
Registry NumbersSources
CAS:52077-55-1ChemIDplus