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CHEBI:203459 - Aspergillazine C

ChEBI IDCHEBI:203459
ChEBI NameAspergillazine C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22N2O8S
Net Charge0
Average Mass450.469
Monoisotopic Mass450.10969
SMILESCOc1ccc2cc(NC(=O)C3(N)C[C@]4(O)[C@@H](C=C[C@@H](O)[C@@H]4O)S3)c(=O)oc2c1OC
InChIInChI=1S/C20H22N2O8S/c1-28-12-5-3-9-7-10(17(25)30-14(9)15(12)29-2)22-18(26)20(21)8-19(27)13(31-20)6-4-11(23)16(19)24/h3-7,11,13,16,23-24,27H,8,21H2,1-2H3,(H,22,26)/t11-,13-,16+,19+,20?/m1/s1
InChIKeyLDSUQPVEEKUWMR-SEQHAUAXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus unilateralis (ncbitaxon:41057) - PubMed (15602607)
ChEBI Ontology
Outgoing Relation(s)
Aspergillazine C (CHEBI:203459) is a coumarins (CHEBI:23403)
IUPAC Name 
(3aR,4S,5R,7aR)-2-amino-N-(7,8-dimethoxy-2-oxochromen-3-yl)-3a,4,5-trihydroxy-3,4,5,7a-tetrahydro-1-benzothiophene-2-carboxamide
Manual XrefsDatabases
10363397ChemSpider