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(Q104403311)
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Secologanol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 3-ethenyl-4-(2-hydroxyethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
390.152597032
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (2R,3S,4R)-3-ethenyl-4-(2-hydroxyethyl)-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₆O₁₀
0 references
canonical SMILES
O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CCO
0 references
isomeric SMILES
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CCO
0 references
found in taxon
Fontanesia fortunei
1 reference
stated in
Biosynthesis of secoiridoids in Fontanesia
Curtia tenuifolia
1 reference
stated in
Iridoid glucosides from Curtia tenuifolia
Eucnide bartonioides
1 reference
stated in
Iridoid glycosides from Eucnide bartonioides
Gentiana verna
1 reference
stated in
New Secoiridoid Glucosides from Gentiana verna
Identifiers
InChI
InChI=1S/C17H26O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,7-9,11-14,16-22H,1,4-6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1
0 references
InChIKey
GHRNLKSWTKHISE-NRZPKYKESA-N
0 references
PubChem CID
14488076
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GHRNLKSWTKHISE-NRZPKYKESA-N
UniChem compound ID
80021636
1 reference
stated in
UniChem
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