Deoxyakanthomycin (CHEBI:216060)

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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	Deoxyakanthomycin

ChEBI ID	CHEBI:216060

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H25NO3

Net Charge

Average Mass

279.380

Monoisotopic Mass

279.18344

InChI

InChI=1S/C16H25NO3/c1-9-7-10(2)13(11(3)16(4,20)8-9)14-12(18)5-6-17-15(14)19/h5-6,9-11,13,20H,7-8H2,1-4H3,(H2,17,18,19)/t9-,10+,11+,13-,16+/m1/s1

InChIKey

QLTWQIOYJXJUJH-WFEKMPBRSA-N

SMILES

O=C1NC=CC(=C1[C@H]2[C@@H]([C@@](O)(C[C@@H](C[C@@H]2C)C)C)C)O

Metabolite of Species	Details
Penicilliumspecies (NCBI:txid5081)	See: PubMed

ChEBI Ontology
Outgoing	Deoxyakanthomycin (CHEBI:216060) is a pyridone (CHEBI:38183)

IUPAC Name

4-hydroxy-3-[(1R,2S,3S,5R,7S)-3-hydroxy-2,3,5,7-tetramethylcycloheptyl]-1H-pyridin-2-one