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CHEBI:5547 - Grosshemin

ChEBI IDCHEBI:5547
ChEBI NameGrosshemin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H18O4
Net Charge0
Average Mass262.305
Monoisotopic Mass262.12051
SMILES[H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](O)CC(=C)[C@]1([H])CC(=O)[C@@H](C)[C@]21[H]
InChIInChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1
InChIKeyYGMIBVIKXJJQQJ-MSOSQAFRSA-N
ChEBI Ontology
Outgoing Relation(s)
Grosshemin (CHEBI:5547) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
GrossheminKEGG COMPOUND
Manual XrefsDatabases
C09472KEGG COMPOUND
C00003297KNApSAcK
Registry NumbersSources
CAS:22489-66-3KEGG COMPOUND