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CHEBI:185580 - 5-(6-hydroxy-4-{5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-1-benzofuran-3-yl}-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl)benzene-1,3-diol

ChEBI IDCHEBI:185580
ChEBI Name5-(6-hydroxy-4-{5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-1-benzofuran-3-yl}-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl)benzene-1,3-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H40O11
Net Charge0
Average Mass888.925
Monoisotopic Mass888.25706
SMILESOc1ccc(-c2oc3ccc(/C=C/c4cc(O)cc5c4C(c4cccc(O)c4)C(c4ccc(O)cc4)O5)cc3c2-c2cc(O)cc3c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O3)cc1
InChIInChI=1S/C56H40O11/c57-36-13-7-30(8-14-36)54-50(33-2-1-3-39(60)21-33)49-34(22-42(63)27-47(49)66-54)6-4-29-5-19-46-44(20-29)52(56(65-46)32-11-17-38(59)18-12-32)45-26-43(64)28-48-53(45)51(35-23-40(61)25-41(62)24-35)55(67-48)31-9-15-37(58)16-10-31/h1-28,50-51,54-55,57-64H/b6-4+
InChIKeyNVANIZLINLDGBF-GQCTYLIASA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
5-(6-hydroxy-4-{5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-1-benzofuran-3-yl}-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl)benzene-1,3-diol (CHEBI:185580) is a benzofurans (CHEBI:35259)
IUPAC Name 
5-[6-hydroxy-4-[5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzouran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-1-benzouran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzouran-3-yl]benzene-1,3-diol
Manual XrefsDatabases
HMDB0125630HMDB