Sarubicin A (CHEBI:223553)

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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	Sarubicin A

ChEBI ID	CHEBI:223553

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H14N2O6

Net Charge

Average Mass

294.263

Monoisotopic Mass

294.08519

InChI

InChI=1S/C13H14N2O6/c1-3-13(20)5(16)2-4(21-3)6-8(13)11(18)9(14)7(10(6)17)12(15)19/h3-5,14,16-17,20H,2H2,1H3,(H2,15,19)/t3-,4-,5-,13-/m1/s1

InChIKey

XGXZRIYLDVKOFX-BEWJSZONSA-N

SMILES

O=C1C(=N)C(=C(O)C2=C1[C@]3(O)[C@H](O)C[C@H]2O[C@@H]3C)C(=O)N

Metabolite of Species	Details
Streptomyces (NCBI:txid1883)	See: PubMed

ChEBI Ontology
Outgoing	Sarubicin A (CHEBI:223553) is a quinone imine (CHEBI:50193)

IUPAC Name

(1S,8R,10R,11R)-1,6,11-trihydroxy-4-imino-10-methyl-3-oxo-9-oxatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-5-carboxamide