EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208373 - Urnucratin B

ChEBI IDCHEBI:208373
ChEBI NameUrnucratin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H14O6
Net Charge0
Average Mass362.337
Monoisotopic Mass362.07904
SMILESCOc1cccc2c1C(=O)C=C[C@]21O[C@@H]2c3c1ccc(O)c3C(=O)[C@@H]1O[C@H]21
InChIInChI=1S/C21H14O6/c1-25-13-4-2-3-9-14(13)12(23)7-8-21(9)10-5-6-11(22)16-15(10)18(27-21)20-19(26-20)17(16)24/h2-8,18-20,22H,1H3/t18-,19+,20-,21+/m1/s1
InChIKeyFQIHWVHVGPUELH-MHTWAQMVSA-N
Species of MetaboliteComponentSourceComments
Urnula craterium (ncbitaxon:96586) - PubMed (22934636)
ChEBI Ontology
Outgoing Relation(s)
Urnucratin B (CHEBI:208373) is a tetralins (CHEBI:36786)
IUPAC Name 
(1R,3R,10R,12R)-7-hydroxy-8'-methoxyspiro[2,11-dioxatetracyclo[6.4.1.04,13.010,12]trideca-4(13),5,7-triene-3,4'-naphthalene]-1',9-dione
Manual XrefsDatabases
28647562ChemSpider