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CHEBI:214867 - (4S,6S)-4-hydroxy-gamma-ionylideneacetic acid

ChEBI IDCHEBI:214867
ChEBI Name(4S,6S)-4-hydroxy-gamma-ionylideneacetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC=C1[C@@H](/C=C/C(C)=C/C(=O)O)C(C)(C)CC[C@@H]1O
InChIInChI=1S/C15H22O3/c1-10(9-14(17)18)5-6-12-11(2)13(16)7-8-15(12,3)4/h5-6,9,12-13,16H,2,7-8H2,1,3-4H3,(H,17,18)/b6-5+,10-9+/t12-,13+/m1/s1
InChIKeyYFJXKBYNUFZYTL-HBPNZMQFSA-N
Species of MetaboliteComponentSourceComments
Sanghuangporusspecies (ncbitaxon:2267874) - DOI (10.1016/j.phytol.2020.03.007)
ChEBI Ontology
Outgoing Relation(s)
(4S,6S)-4-hydroxy-gamma-ionylideneacetic acid (CHEBI:214867) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2E,4E)-5-[(1S,5S)-5-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpenta-2,4-dienoic acid