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CHEBI:214995 - N-ethanolic monapilosine

ChEBI IDCHEBI:214995
ChEBI NameN-ethanolic monapilosine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25NO5
Net Charge0
Average Mass383.444
Monoisotopic Mass383.17327
SMILESC/C=C/C1=CC2=CC3=C(C(=O)CCCCC)C(=O)O[C@]3(C)C(=O)C2=CN1CO
InChIInChI=1S/C22H25NO5/c1-4-6-7-9-18(25)19-17-11-14-10-15(8-5-2)23(13-24)12-16(14)20(26)22(17,3)28-21(19)27/h5,8,10-12,24H,4,6-7,9,13H2,1-3H3/b8-5+/t22-/m0/s1
InChIKeyIBXDWTOLCOCZQU-PABBZOGXSA-N
Species of MetaboliteComponentSourceComments
Monascus (ncbitaxon:5097) - DOI (10.1016/j.phytol.2020.04.014)
ChEBI Ontology
Outgoing Relation(s)
N-ethanolic monapilosine (CHEBI:214995) is a isoquinolines (CHEBI:24922)
IUPAC Name 
3-hexanoyl-7-(hydroxymethyl)-9a-methyl-6-[(E)-prop-1-enyl]uro[3,2-g]isoquinoline-2,9-dione