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CHEBI:214363 - Acaciicolide A

ChEBI IDCHEBI:214363
ChEBI NameAcaciicolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O3
Net Charge0
Average Mass236.311
Monoisotopic Mass236.14124
SMILESCC1(C)CCC(=O)C2OC3C[C@@]21CC=C3CO
InChIInChI=1S/C14H20O3/c1-13(2)5-4-10(16)12-14(13)6-3-9(8-15)11(7-14)17-12/h3,11-12,15H,4-8H2,1-2H3/t11?,12?,14-/m0/s1
InChIKeyIEAXKWUTNIYYNC-YIZWMMSDSA-N
Species of MetaboliteComponentSourceComments
Pseudolagarobasidium acaciicola (ncbitaxon:386453) - PubMed (26701647)
ChEBI Ontology
Outgoing Relation(s)
Acaciicolide A (CHEBI:214363) is a oxolanes (CHEBI:26912)
IUPAC Name 
(1R)-9-(hydroxymethyl)-2,2-dimethyl-7-oxatricyclo[6.3.1.01,6]dodec-9-en-5-one
Manual XrefsDatabases
78442121ChemSpider