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(Q104937445)
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English
[3,4,5-Trihydroxy-6-[4-(3-oxobutyl)phenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
group of stereoisomers with the chemical formula C₂₃H₂₆O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
478.147511652
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₂₆O₁₁
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canonical SMILES
O=C(OCC1OC(OC2=CC=C(C=C2)CCC(=O)C)C(O)C(O)C1O)C3=CC(O)=C(O)C(O)=C3
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found in taxon
Rheum officinale
1 reference
stated in
Phenylbutanoids and stilbene derivatives of Rheum maximowiczii
Rheum tanguticum
1 reference
stated in
Phenylbutanoids and stilbene derivatives of Rheum maximowiczii
Rheum coreanum
1 reference
stated in
Phenylbutanoids and stilbene derivatives of Rheum maximowiczii
Rheum palmatum
1 reference
stated in
Phenylbutanoids and stilbene derivatives of Rheum maximowiczii
Identifiers
InChI
InChI=1S/C23H26O11/c1-11(24)2-3-12-4-6-14(7-5-12)33-23-21(30)20(29)19(28)17(34-23)10-32-22(31)13-8-15(25)18(27)16(26)9-13/h4-9,17,19-21,23,25-30H,2-3,10H2,1H3
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InChIKey
BJYRNIFAMMOVGW-UHFFFAOYSA-N
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PubChem CID
14345581
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
31998079
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0030470
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BJYRNIFAMMOVGW-UHFFFAOYSA-N
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