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CHEBI:220399 - Nemenonediol B

ChEBI IDCHEBI:220399
ChEBI NameNemenonediol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O3
Net Charge0
Average Mass238.327
Monoisotopic Mass238.15689
SMILESC[C@@H]1C[C@H](O)C2=C(C1=O)[C@@](C)(CO)CC2(C)C
InChIInChI=1S/C14H22O3/c1-8-5-9(16)10-11(12(8)17)14(4,7-15)6-13(10,2)3/h8-9,15-16H,5-7H2,1-4H3/t8-,9+,14-/m1/s1
InChIKeyPYIUMRGNHPBYDI-TVLCNXBWSA-N
Species of MetaboliteComponentSourceComments
Nemania bipapillata (ncbitaxon:110536) - PubMed (31444403)
ChEBI Ontology
Outgoing Relation(s)
Nemenonediol B (CHEBI:220399) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(3S,5R,7S)-7-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2,5,6,7-tetrahydroinden-4-one
Manual XrefsDatabases
77089231ChemSpider