EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168040 - 2''-Methoxy-(S)-oleuropein

ChEBI IDCHEBI:168040
ChEBI Name2''-Methoxy-(S)-oleuropein
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O14
Net Charge0
Average Mass570.544
Monoisotopic Mass570.19486
SMILESC/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC(OC)c1ccc(O)c(O)c1
InChIInChI=1S/C26H34O14/c1-4-13-14(8-20(30)37-11-19(35-2)12-5-6-16(28)17(29)7-12)15(24(34)36-3)10-38-25(13)40-26-23(33)22(32)21(31)18(9-27)39-26/h4-7,10,14,18-19,21-23,25-29,31-33H,8-9,11H2,1-3H3/b13-4-
InChIKeyYZPLQRBBARLPFK-PQMHYQBVSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
2''-Methoxy-(S)-oleuropein (CHEBI:168040) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
methyl (5Z)-4-[2-[2-(3,4-dihydroxyphenyl)-2-methoxyethoxy]-2-oxoethyl]-5-ethylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
Manual XrefsDatabases
HMDB0035445HMDB