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CHEBI:197835 - Asporyzin A

ChEBI IDCHEBI:197835
ChEBI NameAsporyzin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37NO3
Net Charge0
Average Mass435.608
Monoisotopic Mass435.27734
SMILESCC(C)=C[C@H]1C[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2CC(=O)c4ccccc4NC(=O)[C@@]23C)O1
InChIInChI=1S/C28H37NO3/c1-17(2)14-19-16-26(3)23-11-10-18-15-22(30)20-8-6-7-9-21(20)29-25(31)28(18,5)27(23,4)13-12-24(26)32-19/h6-9,14,18-19,23-24H,10-13,15-16H2,1-5H3,(H,29,31)/t18-,19-,23-,24-,26-,27-,28+/m0/s1
InChIKeyWPOJQZPWCWZDGM-VSUSBFIXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus oryzae (ncbitaxon:5062) - PubMed (20797856)
ChEBI Ontology
Outgoing Relation(s)
Asporyzin A (CHEBI:197835) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(1S,2S,5S,7R,9S,10R,13S)-1,2,9-trimethyl-7-(2-methylprop-1-enyl)-6-oxa-22-azapentacyclo[11.10.0.02,10.05,9.016,21]tricosa-16,18,20-triene-15,23-dione
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26365733ChemSpider