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CHEBI:207673 - Terrelactone B

ChEBI IDCHEBI:207673
ChEBI NameTerrelactone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O9
Net Charge0
Average Mass456.447
Monoisotopic Mass456.14203
SMILESCOC(=O)[C@]1(Cc2cc(CC(C)=O)c(O)c(OC)c2)OC(=O)C(O)=C1c1ccc(OC)cc1
InChIInChI=1S/C24H24O9/c1-13(25)9-16-10-14(11-18(31-3)20(16)26)12-24(23(29)32-4)19(21(27)22(28)33-24)15-5-7-17(30-2)8-6-15/h5-8,10-11,26-27H,9,12H2,1-4H3/t24-/m1/s1
InChIKeyIPHUPBUWTJTXKW-XMMPIXPASA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25702805)
ChEBI Ontology
Outgoing Relation(s)
Terrelactone B (CHEBI:207673) is a methoxybenzenes (CHEBI:51683)
Terrelactone B (CHEBI:207673) is a phenols (CHEBI:33853)
IUPAC Name 
methyl (2R)-4-hydroxy-2-[[4-hydroxy-3-methoxy-5-(2-oxopropyl)phenyl]methyl]-3-(4-methoxyphenyl)-5-oxouran-2-carboxylate
Manual XrefsDatabases
78438430ChemSpider