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CHEBI:224173 - Phaeosphaone B

ChEBI IDCHEBI:224173
ChEBI NamePhaeosphaone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27N3O3S2
Net Charge0
Average Mass421.588
Monoisotopic Mass421.14938
SMILESCO[C@]1([C@H](SC)c2cnc3ccccc23)NC(=O)[C@@](SC)(C(C)C)N(C)C1=O
InChIInChI=1S/C20H27N3O3S2/c1-12(2)20(28-6)17(24)22-19(26-4,18(25)23(20)3)16(27-5)14-11-21-15-10-8-7-9-13(14)15/h7-12,16,21H,1-6H3,(H,22,24)/t16-,19+,20+/m1/s1
InChIKeyMMJIEYVVWHZRDB-UXPWSPDFSA-N
Species of MetaboliteComponentSourceComments
Phaeosphaeria fuckelii (ncbitaxon:178153) - PubMed (32342692)
ChEBI Ontology
Outgoing Relation(s)
Phaeosphaone B (CHEBI:224173) has functional parent α-amino acid (CHEBI:33704)
Phaeosphaone B (CHEBI:224173) is a organonitrogen compound (CHEBI:35352)
Phaeosphaone B (CHEBI:224173) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,6S)-3-[(R)-1H-indol-3-yl(methylsulanyl)methyl]-3-methoxy-1-methyl-6-methylsulanyl-6-propan-2-ylpiperazine-2,5-dione