Monocillinol B (CHEBI:197774)

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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	Monocillinol B

ChEBI ID	CHEBI:197774

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H13NO5

Net Charge

Average Mass

239.227

Monoisotopic Mass

239.07937

InChI

InChI=1S/C11H13NO5/c1-5-10(14)12-9-7(13)3-6(11(15)16-2)4-8(9)17-5/h4,7-9,13H,1,3H2,2H3,(H,12,14)/t7-,8+,9+/m0/s1

InChIKey

MRTLVFNBTBKYFV-DJLDLDEBSA-N

SMILES

O=C1N[C@H]2[C@@H](C=C(C(=O)OC)C[C@@H]2O)OC1=C

Metabolite of Species	Details
Monocilliumspecies (NCBI:txid2077188)	See: DOI

ChEBI Ontology
Outgoing	Monocillinol B (CHEBI:197774) is a benzoxazine (CHEBI:46969)

IUPAC Name

methyl (4aR,5S,8aR)-5-hydroxy-2-methylidene-3-oxo-4a,5,6,8a-tetrahydro-4H-1,4-benzoxazine-7-carboxylate