CHEBI:168004 - Domesticoside

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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 Domesticoside
ChEBI ID CHEBI:168004
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H20O9
Net Charge 0
Average Mass 344.316
Monoisotopic Mass 344.11073
InChI InChI=1S/C15H20O9/c1-6(17)11-8(18)3-7(22-2)4-9(11)23-15-14(21)13(20)12(19)10(5-16)24-15/h3-4,10,12-16,18-21H,5H2,1-2H3
InChIKey XERRGONJPVYTDB-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC=2C(=C(O)C=C(OC)C2)C(=O)C)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 Domesticoside (CHEBI:168004) is a glycoside (CHEBI:24400)
IUPAC Name
1-[2-hydroxy-4-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
Manual Xref Database
HMDB0029647 HMDB
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