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CHEBI:198183 - Phomazine A

ChEBI IDCHEBI:198183
ChEBI NamePhomazine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18N2O3S
Net Charge0
Average Mass354.431
Monoisotopic Mass354.10381
SMILESCS[C@@]12CC3=CC=C[C@H](O)[C@H]3N1C(=O)/C(=C/c1ccccc1)NC2=O
InChIInChI=1S/C19H18N2O3S/c1-25-19-11-13-8-5-9-15(22)16(13)21(19)17(23)14(20-18(19)24)10-12-6-3-2-4-7-12/h2-10,15-16,22H,11H2,1H3,(H,20,24)/b14-10-/t15-,16-,19+/m0/s1
InChIKeyJDNKAJXFWBFPPM-TUGLFXRSSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies OUCMDZ-1847 (ncbitaxon:1429581) - PubMed (24370114)
ChEBI Ontology
Outgoing Relation(s)
Phomazine A (CHEBI:198183) has functional parent α-amino acid (CHEBI:33704)
Phomazine A (CHEBI:198183) is a organonitrogen compound (CHEBI:35352)
Phomazine A (CHEBI:198183) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3Z,5aS,6S,10aR)-3-benzylidene-6-hydroxy-10a-methylsulanyl-6,10-dihydro-5aH-pyrazino[1,2-a]indole-1,4-dione
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31126180ChemSpider