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(Q105182828)
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English
2-(Hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[[5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
group of stereoisomers with the chemical formula C₂₁H₃₂O₁₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
508.1792057039996
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₂O₁₄
0 references
canonical SMILES
OCC1=CC(O)C2C=COC(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C12
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Identifiers
InChI
InChI=1S/C21H32O14/c22-4-7-3-9(24)8-1-2-31-19(12(7)8)35-21-18(30)16(28)14(26)11(34-21)6-32-20-17(29)15(27)13(25)10(5-23)33-20/h1-3,8-30H,4-6H2
0 references
InChIKey
NOVFAHFRCMKDBE-UHFFFAOYSA-N
0 references
PubChem CID
162978278
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NOVFAHFRCMKDBE-UHFFFAOYSA-N
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