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CHEBI:198795 - Spirobrocazine B

ChEBI IDCHEBI:198795
ChEBI NameSpirobrocazine B
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SubmitterMetaboLights
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FormulaC19H16N2O4S
Net Charge0
Average Mass368.414
Monoisotopic Mass368.08308
SMILESCS[C@@]12Cc3cccc(O)c3N1C(=O)[C@@]1(Cc3ccccc3O1)NC2=O
InChIInChI=1S/C19H16N2O4S/c1-26-19-10-12-6-4-7-13(22)15(12)21(19)17(24)18(20-16(19)23)9-11-5-2-3-8-14(11)25-18/h2-8,22H,9-10H2,1H3,(H,20,23)/t18-,19+/m0/s1
InChIKeyQEJFLMXVVNWJQD-RBUKOAKNSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27723361)
ChEBI Ontology
Outgoing Relation(s)
Spirobrocazine B (CHEBI:198795) has functional parent α-amino acid (CHEBI:33704)
Spirobrocazine B (CHEBI:198795) is a organonitrogen compound (CHEBI:35352)
Spirobrocazine B (CHEBI:198795) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,10aR)-6-hydroxy-10a-methylsulanylspiro[2,10-dihydropyrazino[1,2-a]indole-3,2'-3H-1-benzouran]-1,4-dione
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78440748ChemSpider