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CHEBI:203251 - Herqueiazole

Default Structure
ChEBI IDCHEBI:203251
ChEBI NameHerqueiazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H21NO5
Net Charge0
Average Mass379.412
Monoisotopic Mass379.14197
SMILESCc1cc2c(n1)C(=O)C1=c3c-2c(O)cc(C)c3=C2O[C@@H](C)C(C)(C)[C@@]2(O)C1=O
InChIInChI=1S/C22H21NO5/c1-8-6-12(24)14-11-7-9(2)23-17(11)18(25)16-15(14)13(8)20-22(27,19(16)26)21(4,5)10(3)28-20/h6-7,10,23-24,27H,1-5H3/t10-,22+/m0/s1
InChIKeyIXKZXMJHICVGBA-MLMJSJRWSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (23431962)
ChEBI Ontology
Outgoing Relation(s)
Herqueiazole (CHEBI:203251) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(15S,17S)-9,17-dihydroxy-5,11,15,16,16-pentamethyl-14-oxa-4-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-1(19),3(7),5,8,10,12-hexaene-2,18-dione
Manual XrefsDatabases
28945557ChemSpider