Bohemamine (CHEBI:201280)

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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	Bohemamine

ChEBI ID	CHEBI:201280

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H18N2O3

Net Charge

Average Mass

262.309

Monoisotopic Mass

262.13174

InChI

InChI=1S/C14H18N2O3/c1-7(2)5-11(18)15-10-6-9(17)14(4)13-12(19-13)8(3)16(10)14/h5-6,8,12-13H,1-4H3,(H,15,18)/t8-,12+,13+,14+/m0/s1

InChIKey

UARXZADXFDTXOF-OKVQYTGBSA-N

SMILES

O=C1C=C(NC(=O)C=C(C)C)N2[C@]1([C@@H]3O[C@@H]3[C@@H]2C)C

ChEBI Ontology
Outgoing	Bohemamine (CHEBI:201280) is a pyrrolizines (CHEBI:38522)

IUPAC Name

N-[(1S,2S,4R,5S)-1,5-dimethyl-9-oxo-3-oxa-6-azatricyclo[4.3.0.02,4]non-7-en-7-yl]-3-methylbut-2-enamide