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CHEBI:220260 - Palmarumycin C1

ChEBI IDCHEBI:220260
ChEBI NamePalmarumycin C1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H11ClO4
Net Charge0
Average Mass350.757
Monoisotopic Mass350.03459
SMILESO=C1C(Cl)=CC2(Oc3cccc4cccc(c34)O2)c2cccc(O)c21
InChIInChI=1S/C20H11ClO4/c21-13-10-20(12-6-3-7-14(22)18(12)19(13)23)24-15-8-1-4-11-5-2-9-16(25-20)17(11)15/h1-10,22H
InChIKeySYPXWDVMBLGFHS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Coniothyriumspecies (ncbitaxon:1756115) - DOI (10.1002/jlac.199419941108)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin C1 (CHEBI:220260) is a naphthalenes (CHEBI:25477)
IUPAC Name 
2'-chloro-8'-hydroxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-naphthalene]-1'-one
Manual XrefsDatabases
78435027ChemSpider