EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198239 - Palmarumycin P4

ChEBI IDCHEBI:198239
ChEBI NamePalmarumycin P4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O5
Net Charge0
Average Mass336.343
Monoisotopic Mass336.09977
SMILESO=C1C[C@@H](O)C2(Oc3cccc4cccc(c34)O2)[C@H]2C1=CC=C[C@H]2O
InChIInChI=1S/C20H16O5/c21-13-7-3-6-12-14(22)10-17(23)20(19(12)13)24-15-8-1-4-11-5-2-9-16(25-20)18(11)15/h1-9,13,17,19,21,23H,10H2/t13-,17-,19+/m1/s1
InChIKeyFKPPHRSYMWPOAW-XVSDVWIESA-N
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin P4 (CHEBI:198239) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(3R,4aS,5R)-3,5-dihydroxyspiro[2,3,4a,5-tetrahydronaphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1-one
Manual XrefsDatabases
35517121ChemSpider