(E)-N-acetyl-MY336-A (CHEBI:218112)

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CHEBI:218112 - (E)-N-acetyl-MY336-A

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ChEBI ID	CHEBI:218112
ChEBI Name	(E)-N-acetyl-MY336-A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H23NO4
Net Charge	0
Average Mass	293.363
Monoisotopic Mass	293.16271
SMILES	COc1c(C)cc2c(c1C)[C@H](CO)N(C(C)=O)[C@H](CO)C2
InChI	InChI=1S/C16H23NO4/c1-9-5-12-6-13(7-18)17(11(3)20)14(8-19)15(12)10(2)16(9)21-4/h5,13-14,18-19H,6-8H2,1-4H3/t13-,14-/m0/s1
InChIKey	YBTYNIPEBATORV-KBPBESRZSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies (ncbitaxon:1931)	-	DOI (10.1016/j.tet.2018.11.001)

ChEBI Ontology

Outgoing Relation(s)
	(E)-N-acetyl-MY336-A (CHEBI:218112) is a isoquinolines (CHEBI:24922)

IUPAC Name
1-[(1R,3S)-1,3-bis(hydroxymethyl)-7-methoxy-6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

Manual Xrefs	Databases
71048451	ChemSpider