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(Q77501398)
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English
Agropyrenol
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-(3,4-Dihydroxypent-1-enyl)-6-hydroxybenzaldehyde
1 reference
based on heuristic
inferred from SMILES
mass
222.089208928
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
2-[(1E,3R,4S)-3,4-Dihydroxy-1-pentenyl]-6-hydroxybenzaldehyde
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₄O₄
0 references
canonical SMILES
O=CC=1C(O)=CC=CC1C=CC(O)C(O)C
0 references
isomeric SMILES
C[C@@H](O)[C@H](O)C=Cc1cccc(O)c1C=O
0 references
found in taxon
Ascochyta agropyrina
1 reference
stated in
Agropyrenol and agropyrenal, phytotoxins from Ascochyta agropyrina var. nana, a fungal pathogen of Elitrigia repens
Identifiers
InChI
InChI=1S/C12H14O4/c1-8(14)11(15)6-5-9-3-2-4-12(16)10(9)7-13/h2-8,11,14-16H,1H3/t8-,11-/m1/s1
0 references
InChIKey
ZZWHWGZFHPVYFV-LDYMZIIASA-N
2 references
stated in
PubChem
PubChem CID
139586213
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139586213
language of work or name
English
PubChem CID
139586213
2 references
stated in
PubChem
PubChem CID
139586213
language of work or name
English
matched by identifier from
InChIKey
InChIKey
ZZWHWGZFHPVYFV-LDYMZIIASA-N
ChEBI ID
218121
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H14O4/c1-8(14)11(15)6-5-9-3-2-4-12(16)10(9)7-13/h2-8,11,14-16H,1H3/t8-,11-/m1/s1
UniChem compound ID
170909496
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA011222
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZZWHWGZFHPVYFV-LDYMZIIASA-N
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