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(Q105270230)
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English
(3S,4aalpha)-5beta,7aalpha-Dihydroxy-7alpha-methyl-3beta,6beta-epoxyoctahydrocyclopenta[c]pyran-4beta-carboxylic acid 4,5-lactone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
iridoid
0 references
mass
212.068473484
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₂O₅
0 references
canonical SMILES
O=C1OC2C3OC4OCC(O)(C3C)C2C14
0 references
isomeric SMILES
C[C@H]1[C@@H]2O[C@@H]3OC[C@@]1(O)[C@H]1[C@@H]3C(=O)O[C@@H]21
0 references
found in taxon
Gelsemium elegans
1 reference
stated in
New iridoids from Gelsemium species
Identifiers
InChI
InChI=1S/C10H12O5/c1-3-6-7-5-4(8(11)14-7)9(15-6)13-2-10(3,5)12/h3-7,9,12H,2H2,1H3/t3-,4+,5-,6-,7+,9-,10-/m0/s1
0 references
InChIKey
UCYJAMRRXNXQJP-GEXBLYTOSA-N
0 references
PubChem CID
101855970
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UCYJAMRRXNXQJP-GEXBLYTOSA-N
UniChem compound ID
97381823
1 reference
stated in
UniChem
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