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(Q105034874)
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English
(2S)-6-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-bis(3-methylbut-2-en-1-yl)-7-(3-methylbutanoyl)-2,3-dihydro-1-benzofuran-4-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-bis(3-methylbut-2-en-1-yl)-7-(3-methylbutanoyl)-2,3-dihydro-1-benzofuran-4-one
1 reference
based on heuristic
inferred from SMILES
mass
430.271924316
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2R)-6-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-bis(3-methylbut-2-en-1-yl)-7-(3-methylbutanoyl)-2,3-dihydro-1-benzofuran-4-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₆H₃₈O₅
0 references
canonical SMILES
O=C(C=1C=2OC(CC2C(=O)C(C1O)(CC=C(C)C)CC=C(C)C)C(O)(C)C)CC(C)C
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isomeric SMILES
CC(C)=CCC1(CC=C(C)C)C(=O)C2=C(O[C@H](C(C)(C)O)C2)C(C(=O)CC(C)C)=C1O
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found in taxon
Humulus lupulus
1 reference
stated in
Prenylflavonoids and phloroglucinol derivatives from hops (Humulus lupulus).
Identifiers
InChI
InChI=1S/C26H38O5/c1-15(2)9-11-26(12-10-16(3)4)23(28)18-14-20(25(7,8)30)31-22(18)21(24(26)29)19(27)13-17(5)6/h9-10,17,20,29-30H,11-14H2,1-8H3/t20-/m0/s1
0 references
InChIKey
HWYZDQMASKCQDN-FQEVSTJZSA-N
0 references
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