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CHEBI:211892 - [(5R,6R,9R,10S,11S,12R)-2,6-dihydroxy-7,10,11-trimethyl-4,14-dioxatetracyclo[7.4.1.02,11.05,10]tetradec-7-en-12-yl] (E)-but-2-enoate

ChEBI IDCHEBI:211892
ChEBI Name[(5R,6R,9R,10S,11S,12R)-2,6-dihydroxy-7,10,11-trimethyl-4,14-dioxatetracyclo[7.4.1.02,11.05,10]tetradec-7-en-12-yl] (E)-but-2-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O6
Net Charge0
Average Mass350.411
Monoisotopic Mass350.17294
SMILESC/C=C/C(=O)O[C@@H]1CC2O[C@@H]3C=C(C)[C@@H](O)[C@@H]4OCC2(O)[C@@]1(C)[C@@]34C
InChIInChI=1S/C19H26O6/c1-5-6-14(20)25-12-8-13-19(22)9-23-16-15(21)10(2)7-11(24-13)17(16,3)18(12,19)4/h5-7,11-13,15-16,21-22H,8-9H2,1-4H3/b6-5+/t11-,12-,13?,15-,16+,17+,18-,19?/m1/s1
InChIKeyXUBZUEDJAOOHAW-NGEARHGESA-N
Species of MetaboliteComponentSourceComments
Trichothecium (ncbitaxon:231006) - PubMed (21978324)
ChEBI Ontology
Outgoing Relation(s)
[(5R,6R,9R,10S,11S,12R)-2,6-dihydroxy-7,10,11-trimethyl-4,14-dioxatetracyclo[7.4.1.02,11.05,10]tetradec-7-en-12-yl] (E)-but-2-enoate (CHEBI:211892) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(5R,6R,9R,10S,11S,12R)-2,6-dihydroxy-7,10,11-trimethyl-4,14-dioxatetracyclo[7.4.1.02,11.05,10]tetradec-7-en-12-yl] (E)-but-2-enoate
Manual XrefsDatabases
78440250ChemSpider