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CHEBI:202149 - Clavilactone E

ChEBI IDCHEBI:202149
ChEBI NameClavilactone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O6
Net Charge0
Average Mass318.325
Monoisotopic Mass318.11034
SMILESCO[C@@H]1/C(C)=C\CC[C@]23O[C@H]2[C@@H](OC3=O)c2c(O)ccc(O)c21
InChIInChI=1S/C17H18O6/c1-8-4-3-7-17-15(23-17)14(22-16(17)20)12-10(19)6-5-9(18)11(12)13(8)21-2/h4-6,13-15,18-19H,3,7H2,1-2H3/b8-4-/t13-,14+,15+,17+/m1/s1
InChIKeyXUGGQABLNRQZCH-AAZNQRNPSA-N
Species of MetaboliteComponentSourceComments
Ampulloclitocybe clavipes (ncbitaxon:56467) - DOI (10.1016/s0031-9422(99)00506-3)
ChEBI Ontology
Outgoing Relation(s)
Clavilactone E (CHEBI:202149) is a phenols (CHEBI:33853)
IUPAC Name 
(1S,4Z,6R,13S,14S)-8,11-dihydroxy-6-methoxy-5-methyl-15,17-dioxatetracyclo[11.2.2.01,14.07,12]heptadeca-4,7,9,11-tetraen-16-one
Manual XrefsDatabases
78436826ChemSpider