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CHEBI:214905 - Alliacol A

ChEBI IDCHEBI:214905
ChEBI NameAlliacol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILESC=C1C(=O)O[C@]23CC(C)(C)[C@H]4O[C@]42[C@H](C)CC[C@]13O
InChIInChI=1S/C15H20O4/c1-8-5-6-13(17)9(2)10(16)18-14(13)7-12(3,4)11-15(8,14)19-11/h8,11,17H,2,5-7H2,1,3-4H3/t8-,11-,13+,14+,15-/m1/s1
InChIKeyVLJBPLOIFLPLAP-AUCBNHOYSA-N
Species of MetaboliteComponentSourceComments
Mycetinis alliaceus (ncbitaxon:139086) - PubMed (7198113)
ChEBI Ontology
Outgoing Relation(s)
Alliacol A (CHEBI:214905) is a oxanes (CHEBI:46942)
IUPAC Name 
(1S,5S,8R,9R,11R)-5-hydroxy-8,12,12-trimethyl-4-methylidene-2,10-dioxatetracyclo[7.4.0.01,5.09,11]tridecan-3-one
Manual XrefsDatabases
9087636ChemSpider