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CHEBI:219145 - Craterellin C

ChEBI IDCHEBI:219145
ChEBI NameCraterellin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O4
Net Charge0
Average Mass362.510
Monoisotopic Mass362.24571
SMILESC=C1[C@@H](O)[C@H]2O[C@@]2(C[C@H]2C(C)=CC[C@H]3C(C)(C)CCC[C@]23C)[C@H](O)[C@H]1O
InChIInChI=1S/C22H34O4/c1-12-7-8-15-20(3,4)9-6-10-21(15,5)14(12)11-22-18(25)16(23)13(2)17(24)19(22)26-22/h7,14-19,23-25H,2,6,8-11H2,1,3-5H3/t14-,15-,16-,17+,18+,19+,21+,22-/m0/s1
InChIKeyLVMIFHFLFLKUHJ-LURYBCIMSA-N
Species of MetaboliteComponentSourceComments
Craterellus odoratus (ncbitaxon:57198) - PubMed (19879607)
ChEBI Ontology
Outgoing Relation(s)
Craterellin C (CHEBI:219145) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1S,2R,3S,5R,6R)-1-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4-methylidene-7-oxabicyclo[4.1.0]heptane-2,3,5-triol