CHEBI:198795 - Spirobrocazine B

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ChEBI Name Spirobrocazine B
ChEBI ID CHEBI:198795
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H16N2O4S
Net Charge 0
Average Mass 368.410
Monoisotopic Mass 368.08308
InChI InChI=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
InChIKey QEJFLMXVVNWJQD-RBUKOAKNSA-N
SMILES S([C@@]12N(C(=O)[C@]3(OC=4C=CC=CC4C3)NC1=O)C=5C(O)=CC=CC5C2)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78440748 ChemSpider
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