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CHEBI:217363 - Cylindrol A1

ChEBI IDCHEBI:217363
ChEBI NameCylindrol A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O6
Net Charge0
Average Mass430.541
Monoisotopic Mass430.23554
SMILESCC(=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/C25H34O6/c1-14(7-9-19-22(29)11-15(2)20(13-26)24(19)30)23(31-18(5)27)12-25(6)16(3)8-10-21(28)17(25)4/h7,11,13,16-17,23,29-30H,8-10,12H2,1-6H3/b14-7+/t16-,17+,23-,25+/m1/s1
InChIKeyJBDGCQUQTRLHKA-XCWKDZIXSA-N
Species of MetaboliteComponentSourceComments
Cylindrocarpon lucidum (ncbitaxon:301100) - PubMed (11667727)
ChEBI Ontology
Outgoing Relation(s)
Cylindrol A1 (CHEBI:217363) 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] acetate
Manual XrefsDatabases
8916618ChemSpider