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CHEBI:204488 - Cylindrol A

ChEBI IDCHEBI:204488
ChEBI NameCylindrol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O6
Net Charge0
Average Mass444.568
Monoisotopic Mass444.25119
SMILESCCC(=O)O[C@H](C[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)/C(C)=C/Cc1c(O)cc(C)c(C=O)c1O
InChIInChI=1S/C26H36O6/c1-7-24(30)32-23(13-26(6)17(4)9-11-21(28)18(26)5)15(2)8-10-19-22(29)12-16(3)20(14-27)25(19)31/h8,12,14,17-18,23,29,31H,7,9-11,13H2,1-6H3/b15-8+/t17-,18+,23-,26+/m1/s1
InChIKeyVLFRJRBSRCFKPU-AXNCTASFSA-N
Species of MetaboliteComponentSourceComments
Cylindrocarpon lucidum (ncbitaxon:301100) - DOI (10.1016/0040-4039(95)00896-K)
ChEBI Ontology
Outgoing Relation(s)
Cylindrol A (CHEBI:204488) is a hydroxybenzaldehyde (CHEBI:24673)
IUPAC Name 
[(E,2R)-5-(3-ormyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-3-en-2-yl] propanoate
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