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(Q105232253)
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English
methyl 1-({6-[(acetyloxy)methyl]-4,5-dihydroxy-3-(3-hydroxybenzoyloxy)oxan-2-yl}oxy)-6-hydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate
group of stereoisomers with the chemical formula C₂₆H₃₂O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
552.1842910839997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₆H₃₂O₁₃
0 references
canonical SMILES
O=C(OC)C1=COC(OC2OC(COC(=O)C)C(O)C(O)C2OC(=O)C=3C=CC=C(O)C3)C4C1CC(O)C4C
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Identifiers
InChI
InChI=1S/C26H32O13/c1-11-17(29)8-15-16(24(33)34-3)9-36-25(19(11)15)39-26-22(38-23(32)13-5-4-6-14(28)7-13)21(31)20(30)18(37-26)10-35-12(2)27/h4-7,9,11,15,17-22,25-26,28-31H,8,10H2,1-3H3
0 references
InChIKey
QZOWXVWZQQHCEK-UHFFFAOYSA-N
0 references
PubChem CID
14487128
1 reference
based on heuristic
inferred from InChIKey
KNApSAcK ID
C00059540
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QZOWXVWZQQHCEK-UHFFFAOYSA-N
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