6''-O-Acetylholocalin (CHEBI:183025)

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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	6''-O-Acetylholocalin

ChEBI ID	CHEBI:183025

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H19NO8

Net Charge

Average Mass

353.327

Monoisotopic Mass

353.11107

InChI

InChI=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

InChIKey

NIVXKMKLZUXGSY-UHFFFAOYSA-N

SMILES

O1C(C(O)C(O)C(O)C1OC(C2=CC(O)=CC=C2)C#N)COC(=O)C

Metabolite of Species	Details
Rattus norvegicus (NCBI:txid10116)	Found in Esophagus (BTO:0000959). See: MetaboLights Study

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via cyanogenic glycoside )

ChEBI Ontology
Outgoing	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