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CHEBI:198200 - Palmarumycin C4

ChEBI IDCHEBI:198200
ChEBI NamePalmarumycin C4
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H9ClO6
Net Charge0
Average Mass380.739
Monoisotopic Mass380.00877
SMILESO=C1C=CC(=O)[C@@]23O[C@@]12C(=O)C(Cl)=CC31Oc2cccc3cccc(c23)O1
InChIInChI=1S/C20H9ClO6/c21-11-9-18(20-15(23)8-7-14(22)19(20,27-20)17(11)24)25-12-5-1-3-10-4-2-6-13(26-18)16(10)12/h1-9H/t19-,20+/m1/s1
InChIKeyYWINLIHYGZFDIO-UXHICEINSA-N
Species of MetaboliteComponentSourceComments
Coniothyriumspecies (ncbitaxon:1756115) - DOI (10.1002/jlac.199419941108)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin C4 (CHEBI:198200) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(1S,6R)-8-chlorospiro[11-oxatricyclo[4.4.1.01,6]undeca-3,8-diene-10,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-2,5,7-trione
Manual XrefsDatabases
9915240ChemSpider