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CHEBI:203379 - Naematolin B

ChEBI IDCHEBI:203379
ChEBI NameNaematolin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O6
Net Charge0
Average Mass324.373
Monoisotopic Mass324.15729
SMILESC=C1C(=O)[C@H](OC(C)=O)/C=C(/C)[C@@H](O)[C@@H](O)[C@H]2[C@@H]1C[C@]2(C)CO
InChIInChI=1S/C17H24O6/c1-8-5-12(23-10(3)19)15(21)9(2)11-6-17(4,7-18)13(11)16(22)14(8)20/h5,11-14,16,18,20,22H,2,6-7H2,1,3-4H3/b8-5-/t11-,12-,13-,14-,16+,17-/m1/s1
InChIKeyXXGBCFDTQQQLPZ-IQHSSVNRSA-N
Species of MetaboliteComponentSourceComments
Hypholoma fasciculare (ncbitaxon:72129) - DOI (10.1246/cl.1986.653)
ChEBI Ontology
Outgoing Relation(s)
Naematolin B (CHEBI:203379) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1S,4R,5Z,7R,8S,9S,10S)-7,8-dihydroxy-10-(hydroxymethyl)-6,10-dimethyl-2-methylidene-3-oxo-4-bicyclo[7.2.0]undec-5-enyl] acetate