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CHEBI:208574 - Butyrolactone IV

ChEBI IDCHEBI:208574
ChEBI NameButyrolactone IV
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O8
Net Charge0
Average Mass440.448
Monoisotopic Mass440.14712
SMILESCOC(=O)[C@]1(Cc2ccc3c(c2)CC(O)C(C)(C)O3)OC(=O)C(O)=C1c1ccc(O)cc1
InChIInChI=1S/C24H24O8/c1-23(2)18(26)11-15-10-13(4-9-17(15)31-23)12-24(22(29)30-3)19(20(27)21(28)32-24)14-5-7-16(25)8-6-14/h4-10,18,25-27H,11-12H2,1-3H3/t18?,24-/m1/s1
InChIKeyNSXYYYUKWBLFQH-VCUSLETLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - DOI (10.1039/c8ra01840e)
ChEBI Ontology
Outgoing Relation(s)
Butyrolactone IV (CHEBI:208574) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
methyl (2R)-4-hydroxy-2-[(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-3-(4-hydroxyphenyl)-5-oxouran-2-carboxylate
Manual XrefsDatabases
71048932ChemSpider