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CHEBI:206150 - Cylindrol A2

ChEBI IDCHEBI:206150
ChEBI NameCylindrol A2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H38O6
Net Charge0
Average Mass458.595
Monoisotopic Mass458.26684
SMILESCCCC(=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/C27H38O6/c1-7-8-25(31)33-24(14-27(6)18(4)10-12-22(29)19(27)5)16(2)9-11-20-23(30)13-17(3)21(15-28)26(20)32/h9,13,15,18-19,24,30,32H,7-8,10-12,14H2,1-6H3/b16-9+/t18-,19+,24-,27+/m1/s1
InChIKeyDBCUFKATVZDLLO-IIKQEKBQSA-N
Species of MetaboliteComponentSourceComments
Cylindrocarpon lucidum (ncbitaxon:301100) - PubMed (11667727)
ChEBI Ontology
Outgoing Relation(s)
Cylindrol A2 (CHEBI:206150) 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] butanoate
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8894051ChemSpider