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(Q105348081)
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English
2-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-phenylacetonitrile
group of stereoisomers with the chemical formula C₂₀H₂₇NO₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
457.15841068399976
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₇NO₁₁
0 references
canonical SMILES
N#CC(OC1OC(CO)C(O)C(O)C1OC2OC(CO)C(O)C(O)C2O)C=3C=CC=CC3
0 references
Identifiers
InChI
InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)29-20-18(16(27)14(25)12(8-23)31-20)32-19-17(28)15(26)13(24)11(7-22)30-19/h1-5,10-20,22-28H,7-8H2
0 references
InChIKey
YGHHWSRCTPQFFC-UHFFFAOYSA-N
0 references
PubChem CID
14298910
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YGHHWSRCTPQFFC-UHFFFAOYSA-N
ChEBI ID
178160
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)29-20-18(16(27)14(25)12(8-23)31-20)32-19-17(28)15(26)13(24)11(7-22)30-19/h1-5,10-20,22-28H,7-8H2
UniChem compound ID
32006340
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0038475
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YGHHWSRCTPQFFC-UHFFFAOYSA-N
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