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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2''-Methoxy-(S)-oleuropein
ChEBI ID CHEBI:168040
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H34O14
Net Charge 0
Average Mass 570.544
Monoisotopic Mass 570.19486
InChI InChI=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-
InChIKey YZPLQRBBARLPFK-PQMHYQBVSA-N
SMILES O1C(C(O)C(O)C(O)C1OC/2OC=C(C(\C2=C\C)CC(OCC(OC)C3=CC(O)=C(O)C=C3)=O)C(OC)=O)CO
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0035445 HMDB
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