CHEBI:197692 - Sch 50676

ChEBI IDCHEBI:197692
ChEBI NameSch 50676
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FormulaC20H14O5
Net Charge0
Average Mass334.327
Monoisotopic Mass334.08412
SMILESOc1cccc2c1C1(Oc3cccc4cccc(c34)O1)[C@@H]1O[C@@H]1[C@@H]2O
InChIInChI=1S/C20H14O5/c21-12-7-3-6-11-16(12)20(19-18(23-19)17(11)22)24-13-8-1-4-10-5-2-9-14(25-20)15(10)13/h1-9,17-19,21-22H/t17-,18-,19-/m1/s1
InChIKeyWMOXYZZGBMNONY-GUDVDZBRSA-N
ChEBI Ontology
Outgoing Relation(s)
Sch 50676 (CHEBI:197692) is a tetralins (CHEBI:36786)
IUPAC Name 
(1'aR,7'R,7'aR)-spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,2'-7,7a-dihydro-1aH-naphtho[2,3-b]oxirene]-3',7'-diol
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