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(Q105147296)
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English
[4-Formyl-4a,7-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-6-yl] 3-phenylprop-2-enoate
group of stereoisomers with the chemical formula C₂₅H₃₀O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
522.1737263999997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₅H₃₀O₁₂
0 references
canonical SMILES
O=CC1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1(O)CC(OC(=O)C=CC=4C=CC=CC4)C3(O)C
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Identifiers
InChI
InChI=1S/C25H30O12/c1-24(32)16(36-17(28)8-7-13-5-3-2-4-6-13)9-25(33)14(10-26)12-34-23(21(24)25)37-22-20(31)19(30)18(29)15(11-27)35-22/h2-8,10,12,15-16,18-23,27,29-33H,9,11H2,1H3
0 references
InChIKey
KXECYQPGZKXFOQ-UHFFFAOYSA-N
0 references
PubChem CID
78410092
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KXECYQPGZKXFOQ-UHFFFAOYSA-N
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