EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210791 - Pleuroton A

ChEBI IDCHEBI:210791
ChEBI NamePleuroton A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESC=C1[C@@H](C(=O)C=C(C)C)O[C@H]2[C@@H]1CC[C@](C)(O)[C@@H]2O
InChIInChI=1S/C15H22O4/c1-8(2)7-11(16)12-9(3)10-5-6-15(4,18)14(17)13(10)19-12/h7,10,12-14,17-18H,3,5-6H2,1-2,4H3/t10-,12+,13+,14-,15+/m1/s1
InChIKeyRIXLJEHCUPAPRJ-NZNQWUEYSA-N
Species of MetaboliteComponentSourceComments
Pleurotus cystidiosus (ncbitaxon:28992) - PubMed (25537793)
ChEBI Ontology
Outgoing Relation(s)
Pleuroton A (CHEBI:210791) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
1-[(2S,3aR,6S,7R,7aS)-6,7-dihydroxy-6-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-1-benzouran-2-yl]-3-methylbut-2-en-1-one
Manual XrefsDatabases
78437427ChemSpider