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CHEBI:49439 - (2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID

Default Structure
ChEBI IDCHEBI:49439
ChEBI Name(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID
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DownloadsMolfile
FormulaC26H32O4
Net Charge0
Average Mass408.538
Monoisotopic Mass408.23006
SMILES[H]OC(=O)/C([H])=C(\[H])c1c([H])c([H])c(O[H])c(-c2c([H])c3c(c([H])c2OC([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C3(C([H])([H])[H])C([H])([H])[H])c1[H]
InChIInChI=1S/C26H32O4/c1-6-13-30-23-16-21-20(25(2,3)11-12-26(21,4)5)15-19(23)18-14-17(7-9-22(18)27)8-10-24(28)29/h7-10,14-16,27H,6,11-13H2,1-5H3,(H,28,29)/b10-8+
InChIKeyDJVKZKGDIQNPRJ-CSKARUKUSA-N
ChEBI Ontology
Outgoing Relation(s)
(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID (CHEBI:49439) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACIDPDBeChem
(2E)-3-[4-hydroxy-3-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acidPDBeChem
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