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CHEBI:226600 - Aspeterreurone A

ChEBI IDCHEBI:226600
ChEBI NameAspeterreurone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O4
Net Charge0
Average Mass322.360
Monoisotopic Mass322.12051
SMILESCc1c2c(c(O)c3c1[C@H](C)[C@@H](C)O3)/C(=C/c1ccccc1)C(=O)O2
InChIInChI=1S/C20H18O4/c1-10-12(3)23-19-15(10)11(2)18-16(17(19)21)14(20(22)24-18)9-13-7-5-4-6-8-13/h4-10,12,21H,1-3H3/b14-9-/t10-,12-/m1/s1
InChIKeyFDDZRQPWKCYMRP-JLYGRIHLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32489099)
ChEBI Ontology
Outgoing Relation(s)
Aspeterreurone A (CHEBI:226600) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3Z,6R,7S)-3-benzylidene-4-hydroxy-6,7,8-trimethyl-6,7-dihydrouro[2,3-][1]benzouran-2-one
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85297360ChemSpider