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CHEBI:208556 - 8''S,9''-diol versicolactone B

ChEBI IDCHEBI:208556
ChEBI Name8''S,9''-diol versicolactone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O8
Net Charge0
Average Mass442.464
Monoisotopic Mass442.16277
SMILESCOC(=O)[C@]1(Cc2ccc(O)c(C[C@H](O)C(C)(C)O)c2)OC(=O)C(O)=C1c1ccccc1
InChIInChI=1S/C24H26O8/c1-23(2,30)18(26)12-16-11-14(9-10-17(16)25)13-24(22(29)31-3)19(20(27)21(28)32-24)15-7-5-4-6-8-15/h4-11,18,25-27,30H,12-13H2,1-3H3/t18-,24+/m0/s1
InChIKeyYTHUMKQTFJDAHM-MHECFPHRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - DOI (10.1039/c8ra01840e)
ChEBI Ontology
Outgoing Relation(s)
8''S,9''-diol versicolactone B (CHEBI:208556) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl (2R)-2-[[3-[(2S)-2,3-dihydroxy-3-methylbutyl]-4-hydroxyphenyl]methyl]-4-hydroxy-5-oxo-3-phenyluran-2-carboxylate
Manual XrefsDatabases
71048928ChemSpider