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CHEBI:201847 - Butyrolactone V

ChEBI IDCHEBI:201847
ChEBI NameButyrolactone V
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FormulaC24H24O8
Net Charge0
Average Mass440.448
Monoisotopic Mass440.14712
SMILESCOC(=O)C1(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
InChIKeyNSXYYYUKWBLFQH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Butyrolactone V (CHEBI:201847) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
methyl (2R)-4-hydroxy-2-[[(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]methyl]-3-(4-hydroxyphenyl)-5-oxouran-2-carboxylate
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