CHEBI:213055 - Sch 50673

ChEBI IDCHEBI:213055
ChEBI NameSch 50673
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FormulaC21H14O8
Net Charge0
Average Mass394.335
Monoisotopic Mass394.06887
SMILESCO[C@]1(O)[C@H]2O[C@H]2C2(Oc3cccc4cccc(c34)O2)[C@@]23O[C@]21C(=O)C=CC3=O
InChIInChI=1S/C21H14O8/c1-25-20(24)16-17(26-16)21(19-14(23)9-8-13(22)18(19,20)29-19)27-11-6-2-4-10-5-3-7-12(28-21)15(10)11/h2-9,16-17,24H,1H3/t16-,17+,18+,19-,20+/m0/s1
InChIKeyMYXNJIZFJSNFMA-MFKWGIFDSA-N
ChEBI Ontology
Outgoing Relation(s)
Sch 50673 (CHEBI:213055) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(1'S,2'R,3'S,5'R,7'R)-2'-hydroxy-2'-methoxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,6'-4,12-dioxatetracyclo[5.4.1.01,7.03,5]dodec-9-ene]-8',11'-dione
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8128120ChemSpider