EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185043 - (4-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]-5-[(E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-1-benzofuran-2-yl}phenyl)oxidanesulfonic acid

ChEBI IDCHEBI:185043
ChEBI Name(4-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]-5-[(E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-1-benzofuran-2-yl}phenyl)oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H40O13S
Net Charge0
Average Mass952.990
Monoisotopic Mass952.21896
SMILESO=S(=O)(O)Oc1ccc(-c2oc3ccc(/C=C/c4cc(O)cc5c4C(c4cc(O)cc(O)c4)C(c4ccccc4)O5)cc3c2-c2cc(O)cc3c2C(c2cc(O)cc(O)c2)C(c2ccccc2)O3)cc1
InChIInChI=1S/C56H40O13S/c57-37-21-35(22-38(58)25-37)50-49-34(20-41(61)28-47(49)67-54(50)31-7-3-1-4-8-31)13-11-30-12-18-46-44(19-30)52(56(66-46)33-14-16-43(17-15-33)69-70(63,64)65)45-27-42(62)29-48-53(45)51(36-23-39(59)26-40(60)24-36)55(68-48)32-9-5-2-6-10-32/h1-29,50-51,54-55,57-62H,(H,63,64,65)/b13-11+
InChIKeyFHXVNRWMVRKZBL-ACCUITESSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
(4-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]-5-[(E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-1-benzofuran-2-yl}phenyl)oxidanesulfonic acid (CHEBI:185043) is a benzofurans (CHEBI:35259)
IUPAC Name 
[4-[3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzouran-4-yl]-5-[(E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzouran-4-yl]ethenyl]-1-benzouran-2-yl]phenyl] hydrogen sulate
Manual XrefsDatabases
HMDB0125735HMDB