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CHEBI:207980 - Urnucratin C

Default Structure
ChEBI IDCHEBI:207980
ChEBI NameUrnucratin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H16O6
Net Charge0
Average Mass364.353
Monoisotopic Mass364.09469
SMILESCOc1cccc2c1C(=O)C=C[C@]21O[C@@H]2c3c1ccc(O)c3[C@H](O)[C@@H]1O[C@@H]12
InChIInChI=1S/C21H16O6/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/h2-8,17-20,22,24H,1H3/t17-,18+,19-,20+,21-/m0/s1
InChIKeyNITQFOMVGXXWTM-LUYSREMJSA-N
Species of MetaboliteComponentSourceComments
Urnula craterium (ncbitaxon:96586) - PubMed (22934636)
ChEBI Ontology
Outgoing Relation(s)
Urnucratin C (CHEBI:207980) is a tetralins (CHEBI:36786)
IUPAC Name 
(1R,3R,9S,10S,12R)-7,9-dihydroxy-8'-methoxyspiro[2,11-dioxatetracyclo[6.4.1.04,13.010,12]trideca-4(13),5,7-triene-3,4'-naphthalene]-1'-one
Manual XrefsDatabases
28646453ChemSpider