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(Q105161116)
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English
(2S)-8-[(2R)-2,3-dihydroxy-3-methylbutyl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
1 reference
based on heuristic
inferred from SMILES
brosimacutin B
1 reference
based on heuristic
inferred from SMILES
brosimacutin A
1 reference
based on heuristic
inferred from SMILES
mass
358.141638424
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2S)-8-[(2S)-2,3-dihydroxy-3-methylbutyl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(2R)-8-[(2R)-2,3-dihydroxy-3-methylbutyl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₂O₆
0 references
canonical SMILES
O=C1C2=CC=C(O)C(=C2OC(C3=CC=C(O)C=C3)C1)CC(O)C(O)(C)C
0 references
isomeric SMILES
CC(C)(O)[C@H](O)Cc1c(O)ccc2c1O[C@H](c1ccc(O)cc1)CC2=O
0 references
found in taxon
Brosimum acutifolium
1 reference
stated in
Brosimacutins A-I, nine new flavonoids from Brosimum acutifolium
Identifiers
InChI
InChI=1S/C20H22O6/c1-20(2,25)18(24)9-14-15(22)8-7-13-16(23)10-17(26-19(13)14)11-3-5-12(21)6-4-11/h3-8,17-18,21-22,24-25H,9-10H2,1-2H3/t17-,18+/m0/s1
0 references
InChIKey
MCDSHLATEYMKDN-ZWKOTPCHSA-N
0 references
PubChem CID
162892328
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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