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(Q105032537)
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Patrinioside
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[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
1 reference
based on heuristic
inferred from SMILES
mass
448.230847352
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₆O₁₀
0 references
canonical SMILES
O=C(OC1CC(C(=C)CO)C(COC2OC(CO)C(O)C(O)C2O)C1(O)C)CC(C)C
0 references
isomeric SMILES
C=C(CO)[C@H]1C[C@H](OC(=O)CC(C)C)[C@@](C)(O)[C@H]1CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
0 references
found in taxon
Patrinia scabra
2 references
stated in
Patrinioside, an esterified monocyclic iridoid glucoside from Patrinia scabra
stated in
Cytotoxic iridoids from the roots of 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/t12-,13+,14-,15+,17-,18+,19-,20-,21+/m1/s1
0 references
InChIKey
HRAKXIGVAPGHEW-XHHYMNQSSA-N
0 references
PubChem CID
71461980
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
31975680
1 reference
stated in
UniChem
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