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(Q105032536)
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English
[2-Hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-methyl-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclopentyl] 3-methylbutanoate
group of stereoisomers with the chemical formula C₂₁H₃₆O₁₀
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
448.230847352
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₆O₁₀
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canonical SMILES
O=C(OC1CC(C(=C)CO)C(COC2OC(CO)C(O)C(O)C2O)C1(O)C)CC(C)C
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found in taxon
Trinia scabra
1 reference
stated in
Patrinioside, an esterified monocyclic iridoid glucoside from Patrinia scabra
Identifiers
InChI
InChI=1S/C21H36O10/c1-10(2)5-16(24)31-15-6-12(11(3)7-22)13(21(15,4)28)9-29-20-19(27)18(26)17(25)14(8-23)30-20/h10,12-15,17-20,22-23,25-28H,3,5-9H2,1-2,4H3
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InChIKey
HRAKXIGVAPGHEW-UHFFFAOYSA-N
0 references
PubChem CID
78075599
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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