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CHEBI:216322 - Spirobrocazine C

ChEBI IDCHEBI:216322
ChEBI NameSpirobrocazine C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H14N2O4
Net Charge0
Average Mass322.320
Monoisotopic Mass322.09536
SMILESO=C1N[C@@]2(Cc3ccccc3O2)C(=O)N/C1=C\c1ccccc1O
InChIInChI=1S/C18H14N2O4/c21-14-7-3-1-5-11(14)9-13-16(22)20-18(17(23)19-13)10-12-6-2-4-8-15(12)24-18/h1-9,21H,10H2,(H,19,23)(H,20,22)/b13-9-/t18-/m1/s1
InChIKeyOMZTVPPJRIMQEW-YVJSUPCUSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27723361)
ChEBI Ontology
Outgoing Relation(s)
Spirobrocazine C (CHEBI:216322) is a benzofurans (CHEBI:35259)
IUPAC Name 
(2R,6'Z)-6'-[(2-hydroxyphenyl)methylidene]spiro[3H-1-benzouran-2,3'-piperazine]-2',5'-dione
Manual XrefsDatabases
58197343ChemSpider