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(Q105224589)
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English
methyl 4a,5,6,7-tetrahydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,5H,6H,7aH-cyclopenta[c]pyran-4-carboxylate
group of stereoisomers with the chemical formula C₁₇H₂₆O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
438.3812
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₆O₁₃
0 references
canonical SMILES
O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1(O)C(O)C(O)C3(O)C
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Identifiers
InChI
InChI=1S/C17H26O13/c1-16(25)10-15(30-14-9(21)8(20)7(19)6(3-18)29-14)28-4-5(13(24)27-2)17(10,26)12(23)11(16)22/h4,6-12,14-15,18-23,25-26H,3H2,1-2H3
0 references
InChIKey
QNOVPOGNFVHQOK-UHFFFAOYSA-N
0 references
PubChem CID
14137123
1 reference
matched by identifier from
InChIKey
InChIKey
QNOVPOGNFVHQOK-UHFFFAOYSA-N
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