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CHEBI:206202 - Phomaketide E

ChEBI IDCHEBI:206202
ChEBI NamePhomaketide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O6
Net Charge0
Average Mass394.508
Monoisotopic Mass394.23554
SMILESC=C1CC[C@H](OC(=O)/C=C/[C@@H](O)[C@H](C)O)[C@H](OC)[C@H]1[C@@]1(C)O[C@H]1CC=C(C)C
InChIInChI=1S/C22H34O6/c1-13(2)7-11-18-22(5,28-18)20-14(3)8-10-17(21(20)26-6)27-19(25)12-9-16(24)15(4)23/h7,9,12,15-18,20-21,23-24H,3,8,10-11H2,1-2,4-6H3/b12-9+/t15-,16+,17-,18-,20-,21-,22-/m0/s1
InChIKeyNCKMLMSPPSWVIH-CDBASJRESA-N
Species of MetaboliteComponentSourceComments
Phomaspecies NTOU4195 (ncbitaxon:1889261) - PubMed (27976895)
ChEBI Ontology
Outgoing Relation(s)
Phomaketide E (CHEBI:206202) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(1S,2R,3S)-2-methoxy-4-methylidene-3-[(2R,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl] (E,4R,5S)-4,5-dihydroxyhex-2-enoate
Manual XrefsDatabases
60596846ChemSpider