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CHEBI:227653 - Terrelactone A

ChEBI IDCHEBI:227653
ChEBI NameTerrelactone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O8
Net Charge0
Average Mass468.502
Monoisotopic Mass468.17842
SMILESCOC(=O)[C@]1(Cc2cc(CC=C(C)C)c(O)c(OC)c2)OC(=O)C(O)=C1c1ccc(OC)cc1
InChIInChI=1S/C26H28O8/c1-15(2)6-7-18-12-16(13-20(32-4)22(18)27)14-26(25(30)33-5)21(23(28)24(29)34-26)17-8-10-19(31-3)11-9-17/h6,8-13,27-28H,7,14H2,1-5H3/t26-/m1/s1
InChIKeyOUVRGNVUVNCMKG-AREMUKBSSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25702805)
ChEBI Ontology
Outgoing Relation(s)
Terrelactone A (CHEBI:227653) is a methoxybenzenes (CHEBI:51683)
Terrelactone A (CHEBI:227653) is a phenols (CHEBI:33853)
IUPAC Name 
methyl (2R)-4-hydroxy-2-[[4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]methyl]-3-(4-methoxyphenyl)-5-oxouran-2-carboxylate
Manual XrefsDatabases
78438377ChemSpider