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CHEBI:224251 - Phomanolide E

ChEBI IDCHEBI:224251
ChEBI NamePhomanolide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O6
Net Charge0
Average Mass416.514
Monoisotopic Mass416.21989
SMILESCC1=CC(=O)O[C@@]23CC(=O)O[C@@]12C[C@H]1C[C@H](O)/C(C)=C\CC(C)(C)/C=C/C[C@]1(C)O3
InChIInChI=1S/C24H32O6/c1-15-7-10-21(3,4)8-6-9-22(5)17(12-18(15)25)13-23-16(2)11-19(26)29-24(23,30-22)14-20(27)28-23/h6-8,11,17-18,25H,9-10,12-14H2,1-5H3/b8-6+,15-7-/t17-,18+,22+,23+,24-/m1/s1
InChIKeyQXBTVKIEYQTEJB-TVYLEIGOSA-N
ChEBI Ontology
Outgoing Relation(s)
Phomanolide E (CHEBI:224251) is a furopyran (CHEBI:74927)
IUPAC Name 
(1S,3S,5E,9Z,11S,13R,15S)-11-hydroxy-3,7,7,10,16-pentamethyl-2,19,22-trioxatetracyclo[13.4.3.01,15.03,13]docosa-5,9,16-triene-18,21-dione