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(Q105158793)
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English
methyl 1-{[5-(acetyloxy)-4-hydroxy-3-(3-hydroxybenzoyloxy)-6-(hydroxymethyl)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(OC1C(OC2OC=C(C(=O)OC)C3CC(O)C(C)C23)OC(CO)C(OC(=O)C)C1O)C=4C=CC=C(O)C4
0 references
Identifiers
InChI
InChI=1S/C26H32O13/c1-11-17(30)8-15-16(24(33)34-3)10-35-25(19(11)15)39-26-22(38-23(32)13-5-4-6-14(29)7-13)20(31)21(36-12(2)28)18(9-27)37-26/h4-7,10-11,15,17-22,25-27,29-31H,8-9H2,1-3H3
0 references
InChIKey
LXDIJQSXQCZMRW-UHFFFAOYSA-N
0 references
PubChem CID
14487126
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LXDIJQSXQCZMRW-UHFFFAOYSA-N
KNApSAcK ID
C00059536
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LXDIJQSXQCZMRW-UHFFFAOYSA-N
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