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CHEBI:216053 - Asperugin

ChEBI IDCHEBI:216053
ChEBI NameAsperugin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O5
Net Charge0
Average Mass400.515
Monoisotopic Mass400.22497
SMILESCOc1cc(C=O)c(C=O)c(O)c1OC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C24H32O5/c1-17(2)8-6-9-18(3)10-7-11-19(4)12-13-29-24-22(28-5)14-20(15-25)21(16-26)23(24)27/h8,10,12,14-16,27H,6-7,9,11,13H2,1-5H3/b18-10+,19-12+
InChIKeyHWVGIDRLIKEBPS-UBIAKTOFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus rugulosus (ncbitaxon:41736) - PubMed (5891945)
ChEBI Ontology
Outgoing Relation(s)
Asperugin (CHEBI:216053) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
3-hydroxy-5-methoxy-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phthalaldehyde
Manual XrefsDatabases
4947721ChemSpider