EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:175963 - Secoeremopetasitolide B

ChEBI IDCHEBI:175963
ChEBI NameSecoeremopetasitolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O7
Net Charge0
Average Mass394.464
Monoisotopic Mass394.19915
SMILESC/C=C(/C)C(=O)OC(C1=C(C)C(O)OC1=O)C1(C)C(C)C2CCC1C(OC)O2
InChIInChI=1S/C21H30O7/c1-7-10(2)17(22)27-16(15-11(3)18(23)28-19(15)24)21(5)12(4)14-9-8-13(21)20(25-6)26-14/h7,12-14,16,18,20,23H,8-9H2,1-6H3/b10-7-
InChIKeyYEMKZDPASIYASW-YFHOEESVSA-N
ChEBI Ontology
Outgoing Relation(s)
Secoeremopetasitolide B (CHEBI:175963) is a terpene lactone (CHEBI:37668)
IUPAC Name 
[(2-hydroxy-3-methyl-5-oxo-2H-uran-4-yl)-(3-methoxy-5,6-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl)methyl] (Z)-2-methylbut-2-enoate
Manual XrefsDatabases
HMDB0041363HMDB
35015157ChemSpider