EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:4920 - Eupachlorin

ChEBI IDCHEBI:4920
ChEBI NameEupachlorin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H25ClO7
Net Charge0
Average Mass412.866
Monoisotopic Mass412.12888
SMILES[H][C@]12OC(=O)C(=C)[C@]1([H])[C@H](OC(=O)/C(C)=C\C)C[C@](O)(CCl)[C@]1([H])[C@H](O)C=C(C)[C@]21O
InChIInChI=1S/C20H25ClO7/c1-5-9(2)17(23)27-13-7-19(25,8-21)15-12(22)6-10(3)20(15,26)16-14(13)11(4)18(24)28-16/h5-6,12-16,22,25-26H,4,7-8H2,1-3H3/b9-5-/t12-,13-,14-,15+,16+,19+,20-/m1/s1
InChIKeyVCAKAFVZYNRGKS-WBNZXOOCSA-N
ChEBI Ontology
Outgoing Relation(s)
Eupachlorin (CHEBI:4920) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
EupachlorinKEGG COMPOUND
Manual XrefsDatabases
C09416KEGG COMPOUND
C00003263KNApSAcK
Registry NumbersSources
CAS:20071-50-5KEGG COMPOUND