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CHEBI:224891 - 8-O-methylsclerotiorinamine

ChEBI IDCHEBI:224891
ChEBI Name8-O-methylsclerotiorinamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26ClNO4
Net Charge0
Average Mass403.906
Monoisotopic Mass403.15504
SMILESCCC(C)/C=C(C)/C=C/c1cc2c(cn1)=C(OC)[C@@](C)(OC(C)=O)C(=O)C=2Cl
InChIInChI=1S/C22H26ClNO4/c1-7-13(2)10-14(3)8-9-16-11-17-18(12-24-16)21(27-6)22(5,28-15(4)25)20(26)19(17)23/h8-13H,7H2,1-6H3/b9-8+,14-10+/t13?,22-/m0/s1
InChIKeyXEYGOCHZSYIFRN-BEFCGSBYSA-N
Species of MetaboliteComponentSourceComments
Penicillium multicolor (ncbitaxon:266794) - PubMed (11000046)
ChEBI Ontology
Outgoing Relation(s)
8-O-methylsclerotiorinamine (CHEBI:224891) is a isoquinolines (CHEBI:24922)
IUPAC Name 
[(7R)-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-8-methoxy-7-methyl-6-oxoisoquinolin-7-yl] acetate
Manual XrefsDatabases
7998216ChemSpider