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CHEBI:149709 - 2-oxo-3-[(8S)-epoxy-(2E,6E)-farnesyl]-6-(pyridin-3-yl)-2H-pyran-4-olate

ChEBI IDCHEBI:149709
ChEBI Name2-oxo-3-[(8S)-epoxy-(2E,6E)-farnesyl]-6-(pyridin-3-yl)-2H-pyran-4-olate
Stars
ASCII Name2-oxo-3-[(8S)-epoxy-(2E,6E)-farnesyl]-6-(pyridin-3-yl)-2H-pyran-4-olate
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H30NO4
Net Charge-1
Average Mass408.518
Monoisotopic Mass408.21803
SMILESC/C(=C\Cc1c([O-])cc(-c2cccnc2)oc1=O)CC/C=C(\C)CC[C@@H]1OC1(C)C
InChIInChI=1S/C25H31NO4/c1-17(7-5-8-18(2)11-13-23-25(3,4)30-23)10-12-20-21(27)15-22(29-24(20)28)19-9-6-14-26-16-19/h6,8-10,14-16,23,27H,5,7,11-13H2,1-4H3/p-1/b17-10+,18-8+/t23-/m0/s1
InChIKeyRZIYORCRADGFNA-AWVGLTPVSA-M
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
2-oxo-3-[(8S)-epoxy-(2E,6E)-farnesyl]-6-(pyridin-3-yl)-2H-pyran-4-olate (CHEBI:149709) is a phenolate (CHEBI:50526)
UniProt Name  Source
2-oxo-3-[(8S)-epoxy-(2E,6E)-farnesyl]-6-(pyridin-3-yl)-2H-pyran-4-olateUniProt
Citations