CHEBI:80169 - Hydroxychlorobactene

ChEBI IDCHEBI:80169
ChEBI NameHydroxychlorobactene
Stars
DownloadsMolfile
FormulaC40H54O
Net Charge0
Average Mass550.871
Monoisotopic Mass550.41747
SMILESCC(/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C
InChIInChI=1S/C40H54O/c1-31(19-13-21-33(3)22-14-23-34(4)25-16-30-40(9,10)41)17-11-12-18-32(2)20-15-24-35(5)26-29-39-37(7)28-27-36(6)38(39)8/h11-15,17-24,26-29,41H,16,25,30H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,29-26+,31-17+,32-18+,33-21+,34-23+,35-24+
InChIKeyRIDGLTKNIODKLC-YWCRMUQNSA-N
ChEBI Ontology
Outgoing Relation(s)
Hydroxychlorobactene (CHEBI:80169) is a triterpenoid (CHEBI:36615)
Manual XrefsDatabases
C00022851KNApSAcK
C15911KEGG COMPOUND