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(Q105324493)
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English
(7R*,8R*)-3-Methoxy-3',4,7,9,9'-pentahydroxy-8,4'-oxyneolignan 4-xyloside
group of stereoisomers with the chemical formula C₂₄H₃₂O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
496.5052
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₃₂O₁₁
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canonical SMILES
OC1=CC(=CC=C1OC(CO)C(O)C2=CC=C(OC3OCC(O)C(O)C3O)C(OC)=C2)CCCO
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Identifiers
InChI
InChI=1S/C24H32O11/c1-32-19-10-14(5-7-18(19)35-24-23(31)22(30)16(28)12-33-24)21(29)20(11-26)34-17-6-4-13(3-2-8-25)9-15(17)27/h4-7,9-10,16,20-31H,2-3,8,11-12H2,1H3
0 references
InChIKey
XBHWAKRDNVCHEC-UHFFFAOYSA-N
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PubChem CID
131752793
1 reference
based on heuristic
inferred from InChIKey
ChEBI ID
177988
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C24H32O11/c1-32-19-10-14(5-7-18(19)35-24-23(31)22(30)16(28)12-33-24)21(29)20(11-26)34-17-6-4-13(3-2-8-25)9-15(17)27/h4-7,9-10,16,20-31H,2-3,8,11-12H2,1H3
UniChem compound ID
32017851
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0040325
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XBHWAKRDNVCHEC-UHFFFAOYSA-N
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