Erinacerin M (CHEBI:204140)

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CHEBI:204140 - Erinacerin M

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ChEBI ID	CHEBI:204140
ChEBI Name	Erinacerin M
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H15NO4
Net Charge	0
Average Mass	249.266
Monoisotopic Mass	249.10011
SMILES	CC(=O)c1cn2c(cc1=O)COC(=O)[C@@H]2C(C)C
InChI	InChI=1S/C13H15NO4/c1-7(2)12-13(17)18-6-9-4-11(16)10(8(3)15)5-14(9)12/h4-5,7,12H,6H2,1-3H3/t12-/m0/s1
InChIKey	KHSSYAAJRGQWDH-LBPRGKRZSA-N

Species of Metabolite	Component	Source	Comments
Hericium erinaceus (ncbitaxon:91752)
	-	DOI (10.1016/j.tet.2015.10.068)
	-	DOI (10.1016/j.phytol.2019.04.017)

ChEBI Ontology

Outgoing Relation(s)
	Erinacerin M (CHEBI:204140) is a α-amino acid ester (CHEBI:46874)

IUPAC Names
(4S)-7-acetyl-4-propan-2-yl-1,4-dihydropyrido[2,1-c][1,4]oxazine-3,8-dione
5-methoxy-2,8-dimethyl-2-(4-methyl-2-oxopent-3-enyl)-4,9-dihydro-3H-pyrano[2,3-e]isoindol-7-one

Manual Xrefs	Databases
78437098	ChemSpider