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(Q76387225)
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Ilicicolin E
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-Chloro-2,4-dihydroxy-6-methyl-3-[3-methyl-5-(1,2,6-trimethyl-5-oxocyclohex-3-en-1-yl)penta-2,4-dienyl]benzaldehyde
1 reference
based on heuristic
inferred from SMILES
mass
402.159787024
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₂₇ClO₄
0 references
canonical SMILES
O=CC1=C(O)C(=C(O)C(Cl)=C1C)CC=C(C=CC2(C)C(C=CC(=O)C2C)C)C
0 references
isomeric SMILES
C[C@@H]1C=CC(=O)[C@@H]([C@@]1(C)/C=C/C(=C/CC2=C(C(=C(C(=C2O)Cl)C)C=O)O)/C)C
0 references
found in taxon
Neonectria ditissima
1 reference
stated in
Bioactive metabolites from the fungus Nectria galligena, the main apple canker agent in Chile
Identifiers
InChI
InChI=1S/C23H27ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6-7,9-12,14,16,27-28H,8H2,1-5H3/b11-10+,13-6+/t14-,16+,23+/m1/s1
0 references
InChIKey
ZLAQYJKDQSZARB-FLDGXQSCSA-N
0 references
PubChem CID
6445155
1 reference
matched by identifier from
InChIKey
InChIKey
ZLAQYJKDQSZARB-FLDGXQSCSA-N
UniChem compound ID
5586217
1 reference
stated in
UniChem
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