EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200965 - Urnucratin A

ChEBI IDCHEBI:200965
ChEBI NameUrnucratin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H12O6
Net Charge0
Average Mass348.310
Monoisotopic Mass348.06339
SMILESO=C1C=C[C@]2(O[C@@H]3c4c2ccc(O)c4C(=O)[C@@H]2O[C@H]32)c2cccc(O)c21
InChIInChI=1S/C20H12O6/c21-10-3-1-2-8-13(10)12(23)6-7-20(8)9-4-5-11(22)15-14(9)17(26-20)19-18(25-19)16(15)24/h1-7,17-19,21-22H/t17-,18+,19-,20+/m1/s1
InChIKeyGLLQRSNTBBQHPX-WCIQWLHISA-N
Species of MetaboliteComponentSourceComments
Urnula craterium (ncbitaxon:96586) - PubMed (22934636)
ChEBI Ontology
Outgoing Relation(s)
Urnucratin A (CHEBI:200965) is a tetralins (CHEBI:36786)
IUPAC Name 
(1R,3R,10R,12R)-7,8'-dihydroxyspiro[2,11-dioxatetracyclo[6.4.1.04,13.010,12]trideca-4(13),5,7-triene-3,4'-naphthalene]-1',9-dione
Manual XrefsDatabases
28533836ChemSpider