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CHEBI:227458 - Isoterreulactone A

ChEBI IDCHEBI:227458
ChEBI NameIsoterreulactone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O8
Net Charge0
Average Mass484.545
Monoisotopic Mass484.20972
SMILESCOc1ccc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]4(C)CCC(=O)OC(C)(C)[C@]4(O)CC[C@@]2(C)O3)cc1
InChIInChI=1S/C27H32O8/c1-23(2)26(30)13-12-25(4)27(31,24(26,3)11-10-21(28)35-23)15-18-20(34-25)14-19(33-22(18)29)16-6-8-17(32-5)9-7-16/h6-9,14,30-31H,10-13,15H2,1-5H3/t24-,25+,26+,27-/m0/s1
InChIKeyDSOGYBQXIUXXBY-YAOOYPAMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (15603953)
ChEBI Ontology
Outgoing Relation(s)
Isoterreulactone A (CHEBI:227458) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
(1S,2S,8S,11R)-1,8-dihydroxy-15-(4-methoxyphenyl)-2,7,7,11-tetramethyl-6,12,16-trioxatetracyclo[9.8.0.02,8.013,18]nonadeca-13(18),14-diene-5,17-dione
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9515623ChemSpider