EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:175862 - Eremopetasitenin D1

ChEBI IDCHEBI:175862
ChEBI NameEremopetasitenin D1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O6
Net Charge0
Average Mass378.465
Monoisotopic Mass378.20424
SMILESC/C=C(/C)C(=O)OC1C2=C(C)C(=O)OC2(OC)CC2CCC(O)C(C)C21C
InChIInChI=1S/C21H30O6/c1-7-11(2)18(23)26-17-16-12(3)19(24)27-21(16,25-6)10-14-8-9-15(22)13(4)20(14,17)5/h7,13-15,17,22H,8-10H2,1-6H3/b11-7-
InChIKeyBMPRGPGLZWJNOP-XFFZJAGNSA-N
ChEBI Ontology
Outgoing Relation(s)
Eremopetasitenin D1 (CHEBI:175862) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(6-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran-4-yl) (Z)-2-methylbut-2-enoate
Manual XrefsDatabases
35013491ChemSpider
HMDB0032773HMDB