EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:6962 - Molephantin

ChEBI IDCHEBI:6962
ChEBI NameMolephantin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H22O6
Net Charge0
Average Mass346.379
Monoisotopic Mass346.14164
SMILES[H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](OC(=O)C(=C)C)C/C(C)=C/C(=O)/C=C(/C)[C@@H]2O
InChIInChI=1S/C19H22O6/c1-9(2)18(22)24-14-7-10(3)6-13(20)8-11(4)16(21)17-15(14)12(5)19(23)25-17/h6,8,14-17,21H,1,5,7H2,2-4H3/b10-6+,11-8-/t14-,15+,16-,17-/m0/s1
InChIKeyLXINRHXYVUTAMQ-UKKSPWLWSA-N
ChEBI Ontology
Outgoing Relation(s)
Molephantin (CHEBI:6962) is a germacranolide (CHEBI:73011)
Synonym  Source
MolephantinKEGG COMPOUND
Manual XrefsDatabases
C09512KEGG COMPOUND
C00003333KNApSAcK
Registry NumbersSources
CAS:50656-66-1KEGG COMPOUND