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CHEBI:215453 - Asperteretal E

ChEBI IDCHEBI:215453
ChEBI NameAsperteretal E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O5
Net Charge0
Average Mass366.413
Monoisotopic Mass366.14672
SMILESCC1(C)CCc2cc(CC3=C(c4ccc(O)cc4)[C@@H](O)OC3=O)ccc2O1
InChIInChI=1S/C22H22O5/c1-22(2)10-9-15-11-13(3-8-18(15)27-22)12-17-19(21(25)26-20(17)24)14-4-6-16(23)7-5-14/h3-8,11,21,23,25H,9-10,12H2,1-2H3/t21-/m0/s1
InChIKeyQCPXFZKWSHOJCI-NRFANRHFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (29295795)
ChEBI Ontology
Outgoing Relation(s)
Asperteretal E (CHEBI:215453) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-2-hydroxy-3-(4-hydroxyphenyl)-2H-uran-5-one
Manual XrefsDatabases
65323170ChemSpider