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CHEBI:206454 - Penicisulfuranol F

ChEBI IDCHEBI:206454
ChEBI NamePenicisulfuranol F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26N2O8S2
Net Charge0
Average Mass510.590
Monoisotopic Mass510.11306
SMILESCOc1cccc2c1O[C@]1(C(=O)N3O[C@H]4[C@H](O)C=C[C@@H](O)[C@@]4(O)C[C@@]3(SC)C(=O)N1C)[C@@H]2SC
InChIInChI=1S/C22H26N2O8S2/c1-23-18(27)21(34-4)10-20(29)14(26)9-8-12(25)16(20)32-24(21)19(28)22(23)17(33-3)11-6-5-7-13(30-2)15(11)31-22/h5-9,12,14,16-17,25-26,29H,10H2,1-4H3/t12-,14-,16+,17-,20+,21-,22+/m1/s1
InChIKeyBBMMLEPSNGCFAM-PQJPUEHUSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27992183)
ChEBI Ontology
Outgoing Relation(s)
Penicisulfuranol F (CHEBI:206454) has functional parent α-amino acid (CHEBI:33704)
Penicisulfuranol F (CHEBI:206454) is a organonitrogen compound (CHEBI:35352)
Penicisulfuranol F (CHEBI:206454) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2R,3R,6'aS,7'R,10'R,10'aS,11'aR)-7',10',10'a-trihydroxy-7-methoxy-2'-methyl-3,11'a-bis(methylsulanyl)spiro[3H-1-benzouran-2,3'-6a,7,10,11-tetrahydropyrazino[1,2-b][1,2]benzoxazine]-1',4'-dione
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