CHEBI:226237 - Aspergone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Aspergone
ChEBI ID CHEBI:226237
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H18O5
Net Charge 0
Average Mass 278.304
Monoisotopic Mass 278.11542
InChI InChI=1S/C15H18O5/c1-4-10-11(16)6-9(7-13(18)19-3)14-12(17)5-8(2)20-15(10)14/h6,8,16H,4-5,7H2,1-3H3/t8-/m0/s1
InChIKey LGGJRRSGBHBVGY-QMMMGPOBSA-N
SMILES O=C1C2=C(O[C@H](C1)C)C(=C(O)C=C2CC(=O)OC)CC
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Aspergone (CHEBI:226237) is a chromones (CHEBI:23238)
IUPAC Name
methyl 2-[(2S)-8-ethyl-7-hydroxy-2-methyl-4-oxo-2,3-dihydrochromen-5-yl]acetate
Manual Xref Database
61708595 ChemSpider
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