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(Q75059183)
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Aleurodisconitrile
bioactive natural product
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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-[cyano-(3,4-dihydroxy-5-methoxyphenyl)methoxy]butanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
296.100836232
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₆N₂O₆
0 references
canonical SMILES
N#CC(OCCC(N)C(=O)O)C1=CC(O)=C(O)C(OC)=C1
0 references
isomeric SMILES
COC1=CC(=CC(=C1O)O)[C@@H](C#N)OCC[C@@H](C(=O)O)N
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/C13H16N2O6/c1-20-10-5-7(4-9(16)12(10)17)11(6-14)21-3-2-8(15)13(18)19/h4-5,8,11,16-17H,2-3,15H2,1H3,(H,18,19)/t8-,11+/m0/s1
0 references
InChIKey
HREWMXYKFXVCNP-GZMMTYOYSA-N
2 references
stated in
PubChem
PubChem CID
101450522
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
101450522
language of work or name
English
PubChem CID
101450522
2 references
stated in
PubChem
PubChem CID
101450522
language of work or name
English
matched by identifier from
InChIKey
InChIKey
HREWMXYKFXVCNP-GZMMTYOYSA-N
ChEBI ID
198301
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H16N2O6/c1-20-10-5-7(4-9(16)12(10)17)11(6-14)21-3-2-8(15)13(18)19/h4-5,8,11,16-17H,2-3,15H2,1H3,(H,18,19)/t8-,11+/m0/s1
UniChem compound ID
96740839
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA000881
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HREWMXYKFXVCNP-GZMMTYOYSA-N
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