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CHEBI:205263 - Phomazine B

ChEBI IDCHEBI:205263
ChEBI NamePhomazine B
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SubmitterMetaboLights
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FormulaC20H22N2O3S2
Net Charge0
Average Mass402.541
Monoisotopic Mass402.10718
SMILESCS[C@@]1(Cc2ccccc2)NC(=O)[C@]2(SC)CC3=CC=C[C@H](O)[C@H]3N2C1=O
InChIInChI=1S/C20H22N2O3S2/c1-26-19(11-13-7-4-3-5-8-13)18(25)22-16-14(9-6-10-15(16)23)12-20(22,27-2)17(24)21-19/h3-10,15-16,23H,11-12H2,1-2H3,(H,21,24)/t15-,16-,19+,20+/m0/s1
InChIKeyRLFWHXFCMHLBFD-XAMWDVODSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies OUCMDZ-1847 (ncbitaxon:1429581) - PubMed (24370114)
ChEBI Ontology
Outgoing Relation(s)
Phomazine B (CHEBI:205263) has functional parent α-amino acid (CHEBI:33704)
Phomazine B (CHEBI:205263) is a organonitrogen compound (CHEBI:35352)
Phomazine B (CHEBI:205263) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,5aS,6S,10aR)-3-benzyl-6-hydroxy-3,10a-bis(methylsulanyl)-2,5a,6,10-tetrahydropyrazino[1,2-a]indole-1,4-dione
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31126182ChemSpider