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

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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 (E)-N-acetyl-MY336-A
ChEBI ID CHEBI:218112
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C16H23NO4
Net Charge 0
Average Mass 293.363
Monoisotopic Mass 293.16271
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
SMILES O=C(N1[C@H](C2=C(C=C(C)C(=C2C)OC)C[C@H]1CO)CO)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: DOI
ChEBI Ontology
Outgoing (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 Xref Database
71048451 ChemSpider
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