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(Q105111158)
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English
Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-[[[(methylthio)carbonyl]oxy]methyl]-,(1S,4aS,5S,7aS)-
group of stereoisomers with the chemical formula C₁₈H₂₄O₁₂S
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
464.0988472079997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₄O₁₂S
0 references
canonical SMILES
O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(=CC(O)C13)COC(=O)SC
0 references
found in taxon
Saprosma scortechinii
1 reference
stated in
Iridoids and anthraquinones from the Malaysian medicinal plant, Saprosma scortechinii (Rubiaceae).
Identifiers
InChI
InChI=1S/C18H24O12S/c1-31-18(26)28-4-6-2-8(20)11-7(15(24)25)5-27-16(10(6)11)30-17-14(23)13(22)12(21)9(3-19)29-17/h2,5,8-14,16-17,19-23H,3-4H2,1H3,(H,24,25)
0 references
InChIKey
ICTKKPLVSHVNDV-UHFFFAOYSA-N
0 references
PubChem CID
73809257
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ICTKKPLVSHVNDV-UHFFFAOYSA-N
UniChem compound ID
76790528
1 reference
stated in
UniChem
Probes And Drugs ID
PD117807
0 references
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