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CHEBI:199361 - Peniciadametizine A

ChEBI IDCHEBI:199361
ChEBI NamePeniciadametizine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26N2O7S2
Net Charge0
Average Mass506.602
Monoisotopic Mass506.11814
SMILESCOc1ccc2c(c1OC)O[C@]1(C(=O)N3O[C@@H]4C(=CC=C[C@H]4O)C[C@@]3(SC)C(=O)N1C)[C@@H]2SC
InChIInChI=1S/C23H26N2O7S2/c1-24-20(27)22(34-5)11-12-7-6-8-14(26)16(12)32-25(22)21(28)23(24)19(33-4)13-9-10-15(29-2)18(30-3)17(13)31-23/h6-10,14,16,19,26H,11H2,1-5H3/t14-,16-,19-,22-,23+/m1/s1
InChIKeyUJQYDWBSIBUUKS-KSVPPNQKSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26058014)
ChEBI Ontology
Outgoing Relation(s)
Peniciadametizine A (CHEBI:199361) has functional parent α-amino acid (CHEBI:33704)
Peniciadametizine A (CHEBI:199361) is a organonitrogen compound (CHEBI:35352)
Peniciadametizine A (CHEBI:199361) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2R,3R,6'aR,7'R,11'aR)-7'-hydroxy-6,7-dimethoxy-2'-methyl-3,11'a-bis(methylsulanyl)spiro[3H-1-benzouran-2,3'-7,11-dihydro-6aH-pyrazino[1,2-b][1,2]benzoxazine]-1',4'-dione
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