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CHEBI:203824 - Myrocin E

ChEBI IDCHEBI:203824
ChEBI NameMyrocin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O6
Net Charge0
Average Mass362.422
Monoisotopic Mass362.17294
SMILESC=C[C@]1(C)C=C2[C@@H](O)[C@H](O)[C@@H]3[C@@]4(C[C@@H]4CC[C@]3(C)C(=O)O)[C@@]2(O)C(=O)C1
InChIInChI=1S/C20H26O6/c1-4-17(2)8-11-13(22)14(23)15-18(3,16(24)25)6-5-10-7-19(10,15)20(11,26)12(21)9-17/h4,8,10,13-15,22-23,26H,1,5-7,9H2,2-3H3,(H,24,25)/t10-,13+,14-,15-,17+,18-,19-,20-/m0/s1
InChIKeyVMXWBYJIKIBRRH-KPUXXOKNSA-N
Species of MetaboliteComponentSourceComments
Xylaria polymorpha (ncbitaxon:77046) - DOI (10.1016/j.phytol.2013.05.008)
ChEBI Ontology
Outgoing Relation(s)
Myrocin E (CHEBI:203824) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1S,2S,5R,8R,9R,10R,11S,14S)-5-ethenyl-2,8,9-trihydroxy-5,11-dimethyl-3-oxotetracyclo[8.5.0.01,14.02,7]pentadec-6-ene-11-carboxylic acid
Manual XrefsDatabases
78440970ChemSpider