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CHEBI:206191 - Phomaketide C

ChEBI IDCHEBI:206191
ChEBI NamePhomaketide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O6
Net Charge0
Average Mass392.492
Monoisotopic Mass392.21989
SMILESCO[C@H]1[C@@H](OC(=O)/C=C/[C@H]2O[C@@H]2C)CC[C@@]2(CO2)[C@@H]1[C@@]1(C)O[C@H]1CC=C(C)C
InChIInChI=1S/C22H32O6/c1-13(2)6-8-17-21(4,28-17)20-19(24-5)16(10-11-22(20)12-25-22)27-18(23)9-7-15-14(3)26-15/h6-7,9,14-17,19-20H,8,10-12H2,1-5H3/b9-7+/t14-,15-,16+,17+,19+,20+,21+,22-/m1/s1
InChIKeyXRHQZHUELPPLQD-PIPZUTLJSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies NTOU4195 (ncbitaxon:1889261) - PubMed (27976895)
ChEBI Ontology
Outgoing Relation(s)
Phomaketide C (CHEBI:206191) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(3S,4R,5R,6S)-5-methoxy-4-[(2R,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoate
Manual XrefsDatabases
60596844ChemSpider