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(Q105375127)
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English
[(1S,4S,6R,7R,9S,11S)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] 4-hydroxybenzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(4,9-Dihydroxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl) 4-hydroxybenzoate
1 reference
based on heuristic
inferred from SMILES
Catalpin
1 reference
based on heuristic
inferred from SMILES
mass
322.105252916
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₈O₇
0 references
canonical SMILES
O=C(OC1CC2(O)COC3OC(O)CC1C32)C4=CC=C(O)C=C4
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isomeric SMILES
O=C(O[C@@H]1C[C@@]2(O)CO[C@H]3O[C@H](O)C[C@@H]1[C@H]32)c1ccc(O)cc1
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found in taxon
Catalpa ovata
1 reference
stated in
A mutagenic new iridoid in the water extract of catalpae fructus.
Identifiers
InChI
InChI=1S/C16H18O7/c17-9-3-1-8(2-4-9)14(19)22-11-6-16(20)7-21-15-13(16)10(11)5-12(18)23-15/h1-4,10-13,15,17-18,20H,5-7H2/t10-,11+,12-,13+,15-,16+/m0/s1
0 references
InChIKey
ZGEFAWWFLHUTII-ZNOBHYIQSA-N
0 references
CAS Registry Number
1390-72-3
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
71716362
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
34747241
1 reference
stated in
UniChem
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