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CHEBI:169634 - 5-{6-hydroxy-4-[(E)-2-{3-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl}ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol

ChEBI IDCHEBI:169634
ChEBI Name5-{6-hydroxy-4-[(E)-2-{3-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl}ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H42O11
Net Charge0
Average Mass890.941
Monoisotopic Mass890.27271
SMILESOc1ccc(C2Oc3ccc(/C=C/c4cc(O)cc5c4C(c4cc(O)cc(O)c4)C(c4ccc(O)cc4)O5)cc3C2c2cc(O)cc3c2C(c2cccc(O)c2)C(c2ccc(O)cc2)O3)cc1
InChIInChI=1S/C56H42O11/c57-36-13-7-30(8-14-36)54-50(33-2-1-3-39(60)21-33)53-45(26-43(64)28-48(53)67-54)52-44-20-29(5-19-46(44)65-56(52)32-11-17-38(59)18-12-32)4-6-34-22-42(63)27-47-49(34)51(35-23-40(61)25-41(62)24-35)55(66-47)31-9-15-37(58)16-10-31/h1-28,50-52,54-64H/b6-4+
InChIKeyJETJDIGPOBCZNM-GQCTYLIASA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
5-{6-hydroxy-4-[(E)-2-{3-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl}ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol (CHEBI:169634) is a benzofurans (CHEBI:35259)
IUPAC Name 
5-[6-hydroxy-4-[(E)-2-[3-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzouran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzouran-5-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzouran-3-yl]benzene-1,3-diol
Manual XrefsDatabases
HMDB0134210HMDB