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CHEBI:198047 - Thailandamide lactone

ChEBI IDCHEBI:198047
ChEBI NameThailandamide lactone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC43H55NO8
Net Charge0
Average Mass713.912
Monoisotopic Mass713.39277
SMILESCO[C@H]1[C@@H](C)C(=O)O[C@@]1(C)/C=C/C=C/C(C)=C/C=C/C(O)=C/C(=O)/C=C/C=C(C)/C=C/C(C)NC(=O)C(C)C/C=C/CC(O)Cc1ccc(O)cc1
InChIInChI=1S/C43H55NO8/c1-30(14-10-11-27-43(6)40(51-7)34(5)42(50)52-43)15-12-19-38(47)29-39(48)20-13-16-31(2)21-22-33(4)44-41(49)32(3)17-8-9-18-37(46)28-35-23-25-36(45)26-24-35/h8-16,19-27,29,32-34,37,40,45-47H,17-18,28H2,1-7H3,(H,44,49)/b9-8+,14-10+,19-12+,20-13+,22-21+,27-11+,30-15+,31-16+,38-29-/t32?,33?,34-,37?,40+,43+/m1/s1
InChIKeyTXLZSYDNMDHWLZ-HOZUMRSTSA-N
Species of MetaboliteComponentSourceComments
Burkholderia thailandensis (ncbitaxon:57975) - PubMed (20853892)
ChEBI Ontology
Outgoing Relation(s)
Thailandamide lactone (CHEBI:198047) is a phenols (CHEBI:33853)
IUPAC Name 
(E)-7-hydroxy-N-[(3E,5E,7E,10Z,12E,14E,16E,18E)-11-hydroxy-19-[(2S,3S,4R)-3-methoxy-2,4-dimethyl-5-oxooxolan-2-yl]-5,15-dimethyl-9-oxononadeca-3,5,7,10,12,14,16,18-octaen-2-yl]-8-(4-hydroxyphenyl)-2-methyloct-4-enamide
Manual XrefsDatabases
78445014ChemSpider