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CHEBI:213787 - Palmarumycin CP18

ChEBI IDCHEBI:213787
ChEBI NamePalmarumycin CP18
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H14O5
Net Charge0
Average Mass334.327
Monoisotopic Mass334.08412
SMILESO=C1C=CC(=O)C2=C1[C@@H](O)CCC21Oc2cccc3cccc(c23)O1
InChIInChI=1S/C20H14O5/c21-12-7-8-14(23)19-18(12)13(22)9-10-20(19)24-15-5-1-3-11-4-2-6-16(25-20)17(11)15/h1-8,13,22H,9-10H2/t13-/m0/s1
InChIKeyQRNNOWVUVIEQSM-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Edeniaspecies (ncbitaxon:2744137) - PubMed (19007286)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin CP18 (CHEBI:213787) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(5'S)-5'-hydroxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,8'-6,7-dihydro-5H-naphthalene]-1',4'-dione
Manual XrefsDatabases
24689471ChemSpider