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epanorin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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chemical structure
Epanorin.png
1,327 × 1,081; 83 KB
0 references
mass
435.16818752
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₂₅NO₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)CC(C(=O)OC)NC(=O)C(=C1C(=C(C(=O)O1)C2=CC=CC=C2)O)C3=CC=CC=C3
0 references
isomeric SMILES
COC(=O)[C@H](CC(C)C)NC(=O)/C(=C1\OC(=O)C(c2ccccc2)=C1O)c1ccccc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C25H25NO6/c1-15(2)14-18(24(29)31-3)26-23(28)20(17-12-8-5-9-13-17)22-21(27)19(25(30)32-22)16-10-6-4-7-11-16/h4-13,15,18,27H,14H2,1-3H3,(H,26,28)/b22-20-/t18-/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
IBSRGCBHIASQMQ-BKBKCADHSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
101710315
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
InChIKey
InChIKey
IBSRGCBHIASQMQ-BKBKCADHSA-N
ChEBI ID
144243
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C25H25NO6/c1-15(2)14-18(24(29)31-3)26-23(28)20(17-12-8-5-9-13-17)22-21(27)19(25(30)32-22)16-10-6-4-7-11-16/h4-13,15,18,27H,14H2,1-3H3,(H,26,28)/b22-20-/t18-/m0/s1
UniChem compound ID
97717379
1 reference
stated in
UniChem
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Epanorin
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