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CHEBI:207488 - Palmarumycin C7

ChEBI IDCHEBI:207488
ChEBI NamePalmarumycin C7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H11ClO6
Net Charge0
Average Mass382.755
Monoisotopic Mass382.02442
SMILESO=C1C(Cl)=CC2(Oc3cccc4cccc(c34)O2)[C@]23O[C@]12[C@H](O)C=CC3=O
InChIInChI=1S/C20H11ClO6/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/h1-9,14,22H/t14-,19-,20+/m1/s1
InChIKeyQOHACKCQESTVCI-XMCHAPAWSA-N
Species of MetaboliteComponentSourceComments
Coniothyriumspecies (ncbitaxon:1756115) - DOI (10.1002/jlac.199419941108)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin C7 (CHEBI:207488) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(1S,6S,10R)-3-chloro-10-hydroxyspiro[11-oxatricyclo[4.4.1.01,6]undeca-3,8-diene-5,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-2,7-dione