Methyl pyridoxatin (CHEBI:207252)

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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	Methyl pyridoxatin

ChEBI ID	CHEBI:207252

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H23NO3

Net Charge

Average Mass

277.364

Monoisotopic Mass

277.16779

InChI

InChI=1S/C16H23NO3/c1-5-12-9-10(2)8-11(3)14(12)15-13(18)6-7-17(20-4)16(15)19/h5-7,10-12,14,18H,1,8-9H2,2-4H3/t10-,11+,12-,14-/m1/s1

InChIKey

YVYDZOFXVWBHMZ-GFQSEFKGSA-N

SMILES

O=C1N(OC)C=CC(=C1[C@H]2[C@H](C=C)C[C@H](C)C[C@@H]2C)O

ChEBI Ontology
Outgoing	Methyl pyridoxatin (CHEBI:207252) is a pyridone (CHEBI:38183)

IUPAC Name

3-[(1R,2S,4R,6S)-2-ethenyl-4,6-dimethylcyclohexyl]-4-hydroxy-1-methoxypyridin-2-one