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CHEBI:211690 - N-acetyl-MY336-A

ChEBI IDCHEBI:211690
ChEBI NameN-acetyl-MY336-A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H21NO5
Net Charge0
Average Mass295.335
Monoisotopic Mass295.14197
SMILESCOc1c(C)cc2c(c1O)[C@H](CO)N(C(C)=O)[C@H](CO)C2
InChIInChI=1S/C15H21NO5/c1-8-4-10-5-11(6-17)16(9(2)19)12(7-18)13(10)14(20)15(8)21-3/h4,11-12,17-18,20H,5-7H2,1-3H3/t11-,12-/m0/s1
InChIKeyRTJBCLXCHUFISA-RYUDHWBXSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1016/j.tet.2018.11.001)
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-MY336-A (CHEBI:211690) is a isoquinolines (CHEBI:24922)
IUPAC Name 
1-[(1R,3S)-8-hydroxy-1,3-bis(hydroxymethyl)-7-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
Manual XrefsDatabases
78440598ChemSpider