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CHEBI:201660 - Fascicularone I

Default Structure
ChEBI IDCHEBI:201660
ChEBI NameFascicularone I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O5
Net Charge0
Average Mass282.336
Monoisotopic Mass282.14672
SMILESC[C@@H]1[C@H](O)C2(O)C(=O)O[C@H]3[C@H]4[C@H](CC4(C)C)[C@]2(C)[C@@]13O
InChIInChI=1S/C15H22O5/c1-6-9(16)15(19)11(17)20-10-8-7(5-12(8,2)3)13(15,4)14(6,10)18/h6-10,16,18-19H,5H2,1-4H3/t6-,7+,8-,9+,10+,13-,14-,15?/m1/s1
InChIKeyLLSVGPGDHSNECB-LFRMZIPCSA-N
Species of MetaboliteComponentSourceComments
Hypholoma fasciculare (ncbitaxon:72129) - DOI (10.1002/hlca.200590237)
ChEBI Ontology
Outgoing Relation(s)
Fascicularone I (CHEBI:201660) is a lactone (CHEBI:25000)
IUPAC Name 
(1S,2R,3S,6S,7S,11S,12R)-1,10,11-trihydroxy-2,5,5,12-tetramethyl-8-oxatetracyclo[5.5.0.02,10.03,6]dodecan-9-one
Manual XrefsDatabases
78436767ChemSpider