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CHEBI:208581 - 4',8''-diacetoxy butyrolactone VI

ChEBI IDCHEBI:208581
ChEBI Name4',8''-diacetoxy butyrolactone VI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28O10
Net Charge0
Average Mass524.522
Monoisotopic Mass524.16825
SMILESCOC(=O)[C@]1(Cc2ccc3c(c2)CC(OC(C)=O)C(C)(C)O3)OC(=O)C(O)=C1c1ccc(OC(C)=O)cc1
InChIInChI=1S/C28H28O10/c1-15(29)35-20-9-7-18(8-10-20)23-24(31)25(32)38-28(23,26(33)34-5)14-17-6-11-21-19(12-17)13-22(36-16(2)30)27(3,4)37-21/h6-12,22,31H,13-14H2,1-5H3/t22?,28-/m1/s1
InChIKeyAQBHBPBJANNJKW-AALRHGRASA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - DOI (10.1039/c8ra01840e)
ChEBI Ontology
Outgoing Relation(s)
4',8''-diacetoxy butyrolactone VI (CHEBI:208581) has functional parent tetracarboxylic acid (CHEBI:35742)
4',8''-diacetoxy butyrolactone VI (CHEBI:208581) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
methyl (2R)-2-[(3-acetyloxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-3-(4-acetyloxyphenyl)-4-hydroxy-5-oxouran-2-carboxylate
Manual XrefsDatabases
71048933ChemSpider