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CHEBI:197862 - Creolophin D

ChEBI IDCHEBI:197862
ChEBI NameCreolophin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O4
Net Charge0
Average Mass248.278
Monoisotopic Mass248.10486
SMILESC=C1[C@@H](O)[C@H]2O[C@]23C[C@H]2[C@H]4O[C@@]4(C)C(=O)[C@H]2[C@]13C
InChIInChI=1S/C14H16O4/c1-5-8(15)11-14(18-11)4-6-7(12(5,14)2)9(16)13(3)10(6)17-13/h6-8,10-11,15H,1,4H2,2-3H3/t6-,7+,8-,10-,11-,12+,13+,14-/m1/s1
InChIKeyAWFFXPNAORYYFB-PCDDCEQKSA-N
Species of MetaboliteComponentSourceComments
Lactarius deliciosus (ncbitaxon:55514) - DOI (10.1002/ejoc.200700555)
ChEBI Ontology
Outgoing Relation(s)
Creolophin D (CHEBI:197862) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,3R,4R,6R,8R,9R,11R,12R)-11-hydroxy-6,9-dimethyl-10-methylidene-5,13-dioxapentacyclo[7.4.0.01,12.03,8.04,6]tridecan-7-one
Manual XrefsDatabases
28284632ChemSpider