EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201927 - Cylindrol A5

ChEBI IDCHEBI:201927
ChEBI NameCylindrol A5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H37ClO6
Net Charge0
Average Mass493.040
Monoisotopic Mass492.22787
SMILESCCCC(=O)O[C@H](C[C@@]1(C)[C@H](C)C(=O)CC[C@@H]1C)/C(C)=C/Cc1c(O)c(Cl)c(C)c(C=O)c1O
InChIInChI=1S/C27H37ClO6/c1-7-8-23(31)34-22(13-27(6)16(3)10-12-21(30)18(27)5)15(2)9-11-19-25(32)20(14-29)17(4)24(28)26(19)33/h9,14,16,18,22,32-33H,7-8,10-13H2,1-6H3/b15-9+/t16-,18+,22+,27+/m0/s1
InChIKeyOVAYZZYVDNDIDK-HSZZYRCNSA-N
Species of MetaboliteComponentSourceComments
Cylindrocarponspecies FKI-4602 (ncbitaxon:1196580) - PubMed (23168404)
ChEBI Ontology
Outgoing Relation(s)
Cylindrol A5 (CHEBI:201927) is a hydroxybenzaldehyde (CHEBI:24673)
IUPAC Name 
[(E,2R)-5-(3-chloro-5-ormyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-[(1R,2S,6S)-1,2,6-trimethyl-3-oxocyclohexyl]pent-3-en-2-yl] butanoate
Manual XrefsDatabases
78436787ChemSpider