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CHEBI:215590 - Guignardin E

ChEBI IDCHEBI:215590
ChEBI NameGuignardin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H13ClO5
Net Charge0
Average Mass368.772
Monoisotopic Mass368.04515
SMILESO=C1c2c(O)cccc2C2(Oc3cccc4cccc(c34)O2)[C@H](O)[C@@H]1Cl
InChIInChI=1S/C20H13ClO5/c21-17-18(23)16-11(6-3-7-12(16)22)20(19(17)24)25-13-8-1-4-10-5-2-9-14(26-20)15(10)13/h1-9,17,19,22,24H/t17-,19-/m1/s1
InChIKeyVERJQRRBSKVZER-IEBWSBKVSA-N
Species of MetaboliteComponentSourceComments
Guignardia (ncbitaxon:55180) - DOI (10.1016/j.tet.2014.06.041)
ChEBI Ontology
Outgoing Relation(s)
Guignardin E (CHEBI:215590) is a tetralins (CHEBI:36786)
IUPAC Name 
(2S,3S)-2-chloro-3,8-dihydroxyspiro[2,3-dihydronaphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1-one
Manual XrefsDatabases
34982026ChemSpider