CHEBI:168341 - 10-Acetoxyoleuropein

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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 10-Acetoxyoleuropein
ChEBI ID CHEBI:168341
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H34O15
Net Charge 0
Average Mass 598.554
Monoisotopic Mass 598.18977
InChI InChI=1S/C27H34O15/c1-13(29)38-8-6-15-16(10-21(32)39-7-5-14-3-4-18(30)19(31)9-14)17(25(36)37-2)12-40-26(15)42-27-24(35)23(34)22(33)20(11-28)41-27/h3-4,6,9,12,16,20,22-24,26-28,30-31,33-35H,5,7-8,10-11H2,1-2H3/b15-6+
InChIKey YLCGBFYGDVDQTI-GIDUJCDVSA-N
SMILES O1C(C(O)C(O)C(O)C1OC/2OC=C(C(\C2=C/COC(=O)C)CC(OCCC3=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 10-Acetoxyoleuropein (CHEBI:168341) is a terpene glycoside (CHEBI:61777)
IUPAC Name
methyl (5E)-5-(2-acetyloxyethylidene)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
Manual Xref Database
HMDB0035216 HMDB
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