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CHEBI:183025 - 6''-O-Acetylholocalin

Default Structure
ChEBI IDCHEBI:183025
ChEBI Name6''-O-Acetylholocalin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H19NO8
Net Charge0
Average Mass353.327
Monoisotopic Mass353.11107
SMILESCC(=O)OCC1OC(OC(C#N)c2cccc(O)c2)C(O)C(O)C1O
InChIInChI=1S/C16H19NO8/c1-8(18)23-7-12-13(20)14(21)15(22)16(25-12)24-11(6-17)9-3-2-4-10(19)5-9/h2-5,11-16,19-22H,7H2,1H3
InChIKeyNIVXKMKLZUXGSY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) Esophagus (BTO:0000959) MetaboLights (MTBLS3014)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
6''-O-Acetylholocalin (CHEBI:183025) is a cyanogenic glycoside (CHEBI:23436)
IUPAC Name 
[6-[cyano-(3-hydroxyphenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
HMDB0036331HMDB