EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221104 - Guignardin B

ChEBI IDCHEBI:221104
ChEBI NameGuignardin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H14O5
Net Charge0
Average Mass334.327
Monoisotopic Mass334.08412
SMILESOc1cccc2c1[C@H]1O[C@H]1[C@@H](O)C21Oc2cccc3cccc(c23)O1
InChIInChI=1S/C20H14O5/c21-12-7-3-6-11-16(12)17-18(23-17)19(22)20(11)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
InChIKeyYFSCOMBSRWTBMQ-GUDVDZBRSA-N
Species of MetaboliteComponentSourceComments
Guignardia (ncbitaxon:55180) - DOI (10.1016/j.tet.2014.06.041)
ChEBI Ontology
Outgoing Relation(s)
Guignardin B (CHEBI:221104) is a tetralins (CHEBI:36786)
IUPAC Name 
(1'aS,2'R,7'bR)-spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,3'-2,7b-dihydro-1aH-naphtho[1,2-b]oxirene]-2',7'-diol
Manual XrefsDatabases
34982027ChemSpider