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CHEBI:198956 - Craterellin A

ChEBI IDCHEBI:198956
ChEBI NameCraterellin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O4
Net Charge0
Average Mass362.510
Monoisotopic Mass362.24571
SMILESCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1[C@H](O)C(CO)=C[C@H]2O
InChIInChI=1S/C22H34O4/c1-13-6-7-16-20(2,3)8-5-9-21(16,4)15(13)11-22-17(24)10-14(12-23)18(25)19(22)26-22/h6,10,15-19,23-25H,5,7-9,11-12H2,1-4H3/t15-,16-,17+,18+,19+,21+,22-/m0/s1
InChIKeyVBZYLQJSPMDPOO-VDUSHUSESA-N
Species of MetaboliteComponentSourceComments
Craterellus odoratus (ncbitaxon:57198) - PubMed (19879607)
ChEBI Ontology
Outgoing Relation(s)
Craterellin A (CHEBI:198956) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1S,2R,5R,6R)-1-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
Manual XrefsDatabases
28287127ChemSpider