EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:229028 - 6-Epiangustifolin

ChEBI IDCHEBI:229028
ChEBI Name6-Epiangustifolin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O6
Net Charge0
Average Mass376.449
Monoisotopic Mass376.18859
SMILES[H][C@@]12C[C@@H](O)[C@]3([H])[C@](C1)(C(=O)OC[C@]31CCC[C@@]3(C)CO[C@@H](OC)[C@]31[H])C(=O)C2=C
InChIInChI=1S/C21H28O6/c1-11-12-7-13(22)14-20(10-27-18(24)21(14,8-12)16(11)23)6-4-5-19(2)9-26-17(25-3)15(19)20/h12-15,17,22H,1,4-10H2,2-3H3/t12-,13-,14+,15-,17-,19+,20-,21+/m1/s1
InChIKeyOCIBRRBOOBNKJY-YHDMYULQSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
6-Epiangustifolin (CHEBI:229028) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(1'S,3R,3aR,4R,6'S,7'R,7aR,9'S)-7'-hydroxy-3-methoxy-7a-methyl-10'-methylidenespiro[1,3,3a,5,6,7-hexahydro-2-benzouran-4,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-2',11'-dione
Manual XrefsDatabases
552289ChemSpider