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CHEBI:215422 - Aspergilline C

ChEBI IDCHEBI:215422
ChEBI NameAspergilline C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28N2O6
Net Charge0
Average Mass440.496
Monoisotopic Mass440.19474
SMILESCC(C)=CCc1cc2c3c(c1)N(C)C(=O)[C@]31O[C@]3(O)[C@@H](O)C(=O)N4C(C)(C)[C@H](C2)[C@H]1[C@@]43O
InChIInChI=1S/C24H28N2O6/c1-11(2)6-7-12-8-13-10-14-17-22(16(13)15(9-12)25(5)20(22)29)32-24(31)18(27)19(28)26(21(14,3)4)23(17,24)30/h6,8-9,14,17-18,27,30-31H,7,10H2,1-5H3/t14-,17-,18+,22+,23+,24-/m1/s1
InChIKeyVOJNLRRQHGBEKI-GJGFKORFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - PubMed (25226561)
ChEBI Ontology
Outgoing Relation(s)
Aspergilline C (CHEBI:215422) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(1R,2R,3S,4R,5R,9R)-3,4,5-trihydroxy-8,8,16-trimethyl-13-(3-methylbut-2-enyl)-19-oxa-7,16-diazahexacyclo[9.6.1.11,4.02,9.03,7.015,18]nonadeca-11(18),12,14-triene-6,17-dione
Manual XrefsDatabases
78441341ChemSpider