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CHEBI:212120 - Citridone E

ChEBI IDCHEBI:212120
ChEBI NameCitridone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H19NO3
Net Charge0
Average Mass309.365
Monoisotopic Mass309.13649
SMILESC/C=C(\C)[C@H]1Oc2c(-c3ccccc3)cnc(=O)c2C(=O)[C@@H]1C
InChIInChI=1S/C19H19NO3/c1-4-11(2)17-12(3)16(21)15-18(23-17)14(10-20-19(15)22)13-8-6-5-7-9-13/h4-10,12,17H,1-3H3,(H,20,22)/b11-4+/t12-,17+/m0/s1
InChIKeyQLIQFAPFCLBPOK-WBJINQHTSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.cclet.2018.08.015)
ChEBI Ontology
Outgoing Relation(s)
Citridone E (CHEBI:212120) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
(2S,3R)-2-[(E)-but-2-en-2-yl]-3-methyl-8-phenyl-3,6-dihydro-2H-pyrano[3,2-c]pyridine-4,5-dione