skimmin (CHEBI:177698)

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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	skimmin

ChEBI ID	CHEBI:177698

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

Submitter	MetaboLights

Supplier Information

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Formula

C15H16O8

Net Charge

Average Mass

324.285

Monoisotopic Mass

324.08452

InChI

InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1

InChIKey

VPAOSFFTKWUGAD-TVKJYDDYSA-N

SMILES

O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=3OC(=O)C=CC3C=C2)CO

Metabolite of Species	Details
Sus scrofa (NCBI:txid9823)	Found in sausage (ENVO:00002166). See: MetaboLights Study

ChEBI Ontology
Outgoing	skimmin (CHEBI:177698) is a coumarins (CHEBI:23403) skimmin (CHEBI:177698) is a glycoside (CHEBI:24400)

IUPAC Name

7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

Registry Number	Type	Source
93-39-0	CAS Registry Number	ChemIDplus