CHEBI:197835 - Asporyzin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Asporyzin A
ChEBI ID CHEBI:197835
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H37NO3
Net Charge 0
Average Mass 435.608
Monoisotopic Mass 435.27734
InChI InChI=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
InChIKey WPOJQZPWCWZDGM-VSUSBFIXSA-N
SMILES O=C1NC2=C(C(=O)C[C@H]3[C@]1([C@@]4([C@H]([C@]5([C@@H](O[C@H](C5)C=C(C)C)CC4)C)CC3)C)C)C=CC=C2
Metabolite of Species Details
Aspergillus oryzae (NCBI:txid5062) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
26365733 ChemSpider
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