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(Q104985971)
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English
3-(3,4-Dihydroxy-5-methoxybenzoyloxymethyl)alanine
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
2-amino-4-(3,4-dihydroxy-5-methoxybenzoyloxy)butanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
285.08485182
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₅NO₇
0 references
canonical SMILES
O=C(O)C(N)CCOC(=O)C1=CC(O)=C(O)C(OC)=C1
0 references
isomeric SMILES
COc1cc(C(=O)OCC[C@H](N)C(=O)O)cc(O)c1O
0 references
found in taxon
Aleurodiscus amorphus
2 references
stated in
Chemical Defense of the Crust FungusAleurodiscus amorphus by a Tailor-Made Cyanogenic Cyanohydrin Ether
stated in
Die chemische Verteidigung des RindenpilzesAleurodiscus amorphus mithilfe eines maßgeschneiderten, Blausäure freisetzenden Cyanhydrinethers
Identifiers
InChI
InChI=1S/C12H15NO7/c1-19-9-5-6(4-8(14)10(9)15)12(18)20-3-2-7(13)11(16)17/h4-5,7,14-15H,2-3,13H2,1H3,(H,16,17)/t7-/m0/s1
0 references
InChIKey
DOGIWBIDAAYBPO-ZETCQYMHSA-N
0 references
PubChem CID
101450523
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DOGIWBIDAAYBPO-ZETCQYMHSA-N
ChEBI ID
199557
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H15NO7/c1-19-9-5-6(4-8(14)10(9)15)12(18)20-3-2-7(13)11(16)17/h4-5,7,14-15H,2-3,13H2,1H3,(H,16,17)/t7-/m0/s1
UniChem compound ID
97539796
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA002331
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DOGIWBIDAAYBPO-ZETCQYMHSA-N
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