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CHEBI:200738 - Citridone B

ChEBI IDCHEBI:200738
ChEBI NameCitridone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H21NO5
Net Charge0
Average Mass343.379
Monoisotopic Mass343.14197
SMILESCC(O)[C@]1(C)O[C@H](O)[C@@]2(C)c3c(ncc(-c4ccccc4)c3=O)O[C@H]21
InChIInChI=1S/C19H21NO5/c1-10(21)19(3)16-18(2,17(23)25-19)13-14(22)12(9-20-15(13)24-16)11-7-5-4-6-8-11/h4-10,16-17,21,23H,1-3H3,(H,20,22)/t10?,16-,17+,18+,19+/m1/s1
InChIKeyHKJGXZQUAMKOKS-GIEQTFEPSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (16060383)
ChEBI Ontology
Outgoing Relation(s)
Citridone B (CHEBI:200738) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
(2S,3S,5S,6R)-3-hydroxy-5-(1-hydroxyethyl)-2,5-dimethyl-11-phenyl-4,7-dioxa-9-azatricyclo[6.4.0.02,6]dodeca-1(8),10-dien-12-one
Manual XrefsDatabases
9591502ChemSpider