CHEBI:211690 - 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 N-acetyl-MY336-A
ChEBI ID CHEBI:211690
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H21NO5
Net Charge 0
Average Mass 295.335
Monoisotopic Mass 295.14197
InChI InChI=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
InChIKey RTJBCLXCHUFISA-RYUDHWBXSA-N
SMILES O=C(N1[C@H](C2=C(O)C(OC)=C(C)C=C2C[C@H]1CO)CO)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
78440598 ChemSpider
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