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(Q105337980)
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English
Methyl 6-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
group of stereoisomers with the chemical formula C₂₇H₃₄O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
alkyl caffeate ester
1 reference
inferred from
alkyl caffeate ester
mass
566.1999411479998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₃₄O₁₃
0 references
canonical SMILES
O=C(OC1CC2C(=COC(OC3OC(CO)C(O)C(O)C3O)C2C1C)C(=O)OC)C=CC4=CC=C(O)C(OC)=C4
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Identifiers
InChI
InChI=1S/C27H34O13/c1-12-17(38-20(30)7-5-13-4-6-16(29)18(8-13)35-2)9-14-15(25(34)36-3)11-37-26(21(12)14)40-27-24(33)23(32)22(31)19(10-28)39-27/h4-8,11-12,14,17,19,21-24,26-29,31-33H,9-10H2,1-3H3
0 references
InChIKey
XOWVMKHUWDJUHZ-UHFFFAOYSA-N
0 references
PubChem CID
163003219
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XOWVMKHUWDJUHZ-UHFFFAOYSA-N
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