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CHEBI:184722 - {4-[3-(3,5-dihydroxyphenyl)-4-{5-[(E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-1-benzofuran-3-yl}-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]phenyl}oxidanesulfonic acid

ChEBI IDCHEBI:184722
ChEBI Name{4-[3-(3,5-dihydroxyphenyl)-4-{5-[(E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-1-benzofuran-3-yl}-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]phenyl}oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H40O14S
Net Charge0
Average Mass968.989
Monoisotopic Mass968.21388
SMILESO=S(=O)(O)Oc1ccc(C2Oc3cc(O)cc(-c4c(-c5ccc(O)cc5)oc5ccc(/C=C/c6cc(O)cc7c6C(c6cc(O)cc(O)c6)C(c6ccccc6)O7)cc45)c3C2c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C56H40O14S/c57-36-13-9-31(10-14-36)56-52(45-26-42(63)28-48-53(45)51(35-22-39(60)25-40(61)23-35)55(69-48)32-11-15-43(16-12-32)70-71(64,65)66)44-18-29(7-17-46(44)67-56)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+
InChIKeyIMYAVRZVORIHEU-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-(3,5-dihydroxyphenyl)-4-{5-[(E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-1-benzofuran-3-yl}-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]phenyl}oxidanesulfonic acid (CHEBI:184722) is a benzofurans (CHEBI:35259)
IUPAC Name 
[4-[3-(3,5-dihydroxyphenyl)-4-[5-[(E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzouran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-1-benzouran-3-yl]-6-hydroxy-2,3-dihydro-1-benzouran-2-yl]phenyl] hydrogen sulate
Manual XrefsDatabases
HMDB0125668HMDB