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(Q72478332)
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Flavaprin
chemical compound
Phellodensin F
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Statements
instance of
type of chemical entity
0 references
subclass of
8C-prenylflavanone
1 reference
based on heuristic
inferred from SMILES
mass
502.1838971599999
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
1 reference
based on heuristic
inferred from InChI
(2R)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₆H₃₀O₁₀
0 references
canonical SMILES
CC(C)=CCc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c1OC(c1ccc(O)cc1)CC2=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)=CCc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C26H30O10/c1-12(2)3-8-15-19(35-26-24(33)23(32)22(31)20(11-27)36-26)10-17(30)21-16(29)9-18(34-25(15)21)13-4-6-14(28)7-5-13/h3-7,10,18,20,22-24,26-28,30-33H,8-9,11H2,1-2H3/t18-,20?,22+,23-,24?,26+/m0/s1
0 references
InChIKey
BMYUIXRQCPBGKG-SKSDNVLZSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
53846-49-4
0 references
ChEBI ID
187649
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C26H30O10/c1-12(2)3-8-15-19(35-26-24(33)23(32)22(31)20(11-27)36-26)10-17(30)21-16(29)9-18(34-25(15)21)13-4-6-14(28)7-5-13/h3-7,10,18,20,22-24,26-28,30-33H,8-9,11H2,1-2H3/t18-,20?,22+,23-,24?,26+/m0/s1
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