EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:215379 - Palmarumycin CE4

ChEBI IDCHEBI:215379
ChEBI NamePalmarumycin CE4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O5
Net Charge0
Average Mass336.343
Monoisotopic Mass336.09977
SMILESO=C1C[C@@H]2O[C@@H]3C=C[C@H](O)[C@H]1[C@@H]3C21Oc2cccc3cccc(c23)O1
InChIInChI=1S/C20H16O5/c21-11-7-8-15-19-18(11)12(22)9-16(23-15)20(19)24-13-5-1-3-10-4-2-6-14(25-20)17(10)13/h1-8,11,15-16,18-19,21H,9H2/t11-,15+,16-,18+,19+/m0/s1
InChIKeyITJMKILNODXZIW-QHWNQHOJSA-N
Species of MetaboliteComponentSourceComments
Anteaglonium (ncbitaxon:714361) - PubMed (31354886)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin CE4 (CHEBI:215379) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(1S,4R,5S,8R,9S)-5-hydroxyspiro[11-oxatricyclo[6.2.1.04,9]undec-6-ene-10,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-3-one
Manual XrefsDatabases
35517119ChemSpider