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CHEBI:206427 - Penicisulfuranol B

ChEBI IDCHEBI:206427
ChEBI NamePenicisulfuranol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22N2O9S2
Net Charge0
Average Mass510.546
Monoisotopic Mass510.07667
SMILESCOc1ccc2c(c1OC)O[C@]13C(=O)N4O[C@H]5[C@H](O)C=C[C@@H](O)[C@@]5(O)C[C@@]4(SS[C@H]21)C(=O)N3C
InChIInChI=1S/C21H22N2O9S2/c1-22-17(26)20-8-19(28)12(25)7-5-10(24)15(19)32-23(20)18(27)21(22)16(33-34-20)9-4-6-11(29-2)14(30-3)13(9)31-21/h4-7,10,12,15-16,24-25,28H,8H2,1-3H3/t10-,12-,15+,16-,19+,20-,21+/m1/s1
InChIKeyWHVFNXVGORSIGM-OFDQUPMBSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27992183)
ChEBI Ontology
Outgoing Relation(s)
Penicisulfuranol B (CHEBI:206427) has functional parent α-amino acid (CHEBI:33704)
Penicisulfuranol B (CHEBI:206427) is a organonitrogen compound (CHEBI:35352)
Penicisulfuranol B (CHEBI:206427) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,5S,6R,9R,10S,12R,15R)-6,9,10-trihydroxy-19,20-dimethoxy-23-methyl-4,22-dioxa-13,14-dithia-3,23-diazahexacyclo[10.10.2.01,15.03,12.05,10.016,21]tetracosa-7,16(21),17,19-tetraene-2,24-dione
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