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Botrydienal
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1,3,3,6-tetramethyl-5,6-dihydro-2H-indene-1,7-dicarbaldehyde
1 reference
based on heuristic
inferred from SMILES
mass
232.14632988
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₀O₂
0 references
canonical SMILES
O=CC1=C2C(=CCC1C)C(C)(C)CC2(C=O)C
0 references
isomeric SMILES
C[C@@H]1CC=C2C(=C1C=O)[C@@](CC2(C)C)(C)C=O
0 references
found in taxon
Botryotinia squamosa
1 reference
stated in
Botrydienal, a new prytotoxin, and its related metabolites, dehydrobotrydienal and deacetyldihydrobotrydial produced by botryotinia squamosa
Botrytis cinerea
3 references
stated in
Biologically active sesquiterpenoid metabolites from the fungus Botrytis cinerea
stated in
Structure-activity relationships of new phytotoxic metabolites with the botryane skeleton from Botrytis cinerea
stated in
Structure-activity relationships of new phytotoxic metabolites with the botryane skeleton from Botrytis cinerea
Identifiers
InChI
InChI=1S/C15H20O2/c1-10-5-6-12-13(11(10)7-16)15(4,9-17)8-14(12,2)3/h6-7,9-10H,5,8H2,1-4H3/t10-,15-/m1/s1
0 references
InChIKey
CFAMAVBUWMXYLX-MEBBXXQBSA-N
0 references
CAS Registry Number
97165-23-6
0 references
PubChem CID
176609
1 reference
matched by identifier from
InChIKey
InChIKey
CFAMAVBUWMXYLX-MEBBXXQBSA-N
ChEBI ID
222692
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H20O2/c1-10-5-6-12-13(11(10)7-16)15(4,9-17)8-14(12,2)3/h6-7,9-10H,5,8H2,1-4H3/t10-,15-/m1/s1
UniChem compound ID
338018
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30914085
1 reference
matched by identifier from
InChIKey
InChIKey
CFAMAVBUWMXYLX-MEBBXXQBSA-N
DSSTOX compound identifier
DTXCID901343080
0 references
Natural Product Atlas ID
NPA012070
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CFAMAVBUWMXYLX-MEBBXXQBSA-N
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