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CHEBI:222716 - Alliacol B

ChEBI IDCHEBI:222716
ChEBI NameAlliacol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILESC[C@@H]1CCC2=C(CO)C(=O)O[C@@]23CC(C)(C)[C@H]2O[C@]123
InChIInChI=1S/C15H20O4/c1-8-4-5-10-9(6-16)11(17)18-14(10)7-13(2,3)12-15(8,14)19-12/h8,12,16H,4-7H2,1-3H3/t8-,12-,14+,15-/m1/s1
InChIKeyIAPZIXBAFXUFEO-KXWVSSKRSA-N
Species of MetaboliteComponentSourceComments
Mycetinis alliaceus (ncbitaxon:139086) - PubMed (7198113)
ChEBI Ontology
Outgoing Relation(s)
Alliacol B (CHEBI:222716) is a oxanes (CHEBI:46942)
IUPAC Name 
(1S,8R,9R,11R)-4-(hydroxymethyl)-8,12,12-trimethyl-2,10-dioxatetracyclo[7.4.0.01,5.09,11]tridec-4-en-3-one
Manual XrefsDatabases
23354797ChemSpider