CHEBI:168502 - Acuminoside

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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 Acuminoside
ChEBI ID CHEBI:168502
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H36O10
Net Charge 0
Average Mass 448.509
Monoisotopic Mass 448.23085
InChI InChI=1S/C21H36O10/c1-12(2)5-4-6-13(3)7-8-28-19-17(25)16(24)15(23)14(31-19)9-29-20-18(26)21(27,10-22)11-30-20/h5,7,14-20,22-27H,4,6,8-11H2,1-3H3/b13-7-
InChIKey RFFYIBOJHUSIGD-QPEQYQDCSA-N
SMILES O1C(C(O)C(O)C(O)C1OC/C=C(\CCC=C(C)C)/C)COC2OCC(O)(C2O)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 Acuminoside (CHEBI:168502) is a terpene glycoside (CHEBI:61777)
IUPAC Name
2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol
Manual Xref Database
HMDB0029347 HMDB
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