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CHEBI:222559 - 8-chlororugulovasine B

ChEBI IDCHEBI:222559
ChEBI Name8-chlororugulovasine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H15ClN2O2
Net Charge0
Average Mass302.761
Monoisotopic Mass302.08221
SMILESCN[C@@H]1Cc2cnc3c(Cl)ccc(c23)[C@]12C=C(C)C(=O)O2
InChIInChI=1S/C16H15ClN2O2/c1-8-6-16(21-15(8)20)10-3-4-11(17)14-13(10)9(7-19-14)5-12(16)18-2/h3-4,6-7,12,18-19H,5H2,1-2H3/t12-,16-/m1/s1
InChIKeySDYOUVJWVNBXPX-MLGOLLRUSA-N
Species of MetaboliteComponentSourceComments
Talaromyces islandicus (ncbitaxon:28573) - DOI (10.1016/0040-4039(76)80164-5)
ChEBI Ontology
Outgoing Relation(s)
8-chlororugulovasine B (CHEBI:222559) is a indoles (CHEBI:24828)
IUPAC Name 
(4R,5R)-8-chloro-3'-methyl-4-(methylamino)spiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-uran]-2'-one
Manual XrefsDatabases
143001ChemSpider