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CHEBI:185081 - (4-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-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:185081
ChEBI Name(4-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-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
FormulaC56H40O14S
Net Charge0
Average Mass968.989
Monoisotopic Mass968.21388
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(c2ccc(O)cc2)O3)cc1
InChIInChI=1S/C56H40O14S/c57-36-13-9-31(10-14-36)55-51(35-22-39(60)25-40(61)23-35)53-45(26-42(63)28-48(53)69-55)52-44-18-29(7-17-46(44)67-56(52)32-11-15-43(16-12-32)70-71(64,65)66)6-8-33-19-41(62)27-47-49(33)50(34-20-37(58)24-38(59)21-34)54(68-47)30-4-2-1-3-5-30/h1-28,50-51,54-55,57-63H,(H,64,65,66)/b8-6+
InChIKeyJIFCBNCAAZGMAA-SOFGYWHQSA-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-(4-hydroxyphenyl)-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:185081) is a benzofurans (CHEBI:35259)
IUPAC Name 
[4-[3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-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
HMDB0125667HMDB