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CHEBI:168090 - Methyl dihydrophaseate

ChEBI IDCHEBI:168090
ChEBI NameMethyl dihydrophaseate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O5
Net Charge0
Average Mass296.363
Monoisotopic Mass296.16237
SMILESCOC(=O)/C=C(C)/C=C/[C@]1(O)[C@@]2(C)CO[C@]1(C)C[C@@H](O)C2
InChIInChI=1S/C16H24O5/c1-11(7-13(18)20-4)5-6-16(19)14(2)8-12(17)9-15(16,3)21-10-14/h5-7,12,17,19H,8-10H2,1-4H3/b6-5+,11-7+/t12-,14+,15+,16-/m0/s1
InChIKeyQNMHUZMKLBWTQM-QHWQNDSGSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Methyl dihydrophaseate (CHEBI:168090) is a apo carotenoid sesquiterpenoid (CHEBI:36758)
IUPAC Name 
methyl (2E,4E)-5-[(1R,3S,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoate