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CHEBI:206406 - Methyl (R,E)-6-(2,3-dihydroxy-4-methylpenyl)-2-methylhept-5-enoate

ChEBI IDCHEBI:206406
ChEBI NameMethyl (R,E)-6-(2,3-dihydroxy-4-methylpenyl)-2-methylhept-5-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESCOC(=O)[C@H](C)CC/C=C(\C)c1ccc(C)c(O)c1O
InChIInChI=1S/C16H22O4/c1-10(6-5-7-12(3)16(19)20-4)13-9-8-11(2)14(17)15(13)18/h6,8-9,12,17-18H,5,7H2,1-4H3/b10-6+/t12-/m1/s1
InChIKeyGRSGIYDCUNTRSM-GCZGVDRJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31888157)
ChEBI Ontology
Outgoing Relation(s)
Methyl (R,E)-6-(2,3-dihydroxy-4-methylpenyl)-2-methylhept-5-enoate (CHEBI:206406) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
methyl (E,2R)-6-(2,3-dihydroxy-4-methylphenyl)-2-methylhept-5-enoate