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(Q105343667)
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English
methyl (1R,4aS,6S,7R,7aR)-1,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1,6-Dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
1 reference
based on heuristic
inferred from SMILES
mass
228.099773612
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (1S,4aS,6S,7R,7aS)-1,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
loganetin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₆O₅
0 references
canonical SMILES
O=C(OC)C1=COC(O)C2C1CC(O)C2C
0 references
isomeric SMILES
COC(=O)C1=CO[C@@H](O)[C@@H]2[C@@H]1C[C@H](O)[C@@H]2C
0 references
found in taxon
Calycophyllum spruceanum
1 reference
stated in
seco-iridoids from Calycophyllum spruceanum (Rubiaceae).
Gentiana verna
1 reference
stated in
Iridoids from Gentiana verna
Identifiers
InChI
InChI=1S/C11H16O5/c1-5-8(12)3-6-7(10(13)15-2)4-16-11(14)9(5)6/h4-6,8-9,11-12,14H,3H2,1-2H3/t5-,6+,8-,9-,11+/m0/s1
0 references
InChIKey
XWOHZIIPBYAMJX-NRBMLLDGSA-N
0 references
PubChem CID
162854363
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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