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Debromogrenadine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-Acetyloxypenta-1,3-dienyl 3-(2-heptylcyclopropyl)propanoate
1 reference
based on heuristic
inferred from SMILES
(3E)-5-(acetyloxy)penta-1,3-dien-1-yl 3-(2-heptylcyclopropyl)propanoate
1 reference
based on heuristic
inferred from SMILES
mass
336.230059504
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Debromogrenadadien
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₂O₄
0 references
canonical SMILES
O=C(OCC=CC=COC(=O)CCC1CC1CCCCCCC)C
0 references
isomeric SMILES
CCCCCCC[C@@H]1C[C@H]1CCC(=O)O/C=C\C=C\COC(C)=O
0 references
found in taxon
Lyngbya majuscula
1 reference
stated in
Grenadadiene and grenadamide, cyclopropyl-containing fatty acid metabolites from the marine cyanobacterium Lyngbya majuscula
Identifiers
InChI
InChI=1S/C20H32O4/c1-3-4-5-6-8-11-18-16-19(18)12-13-20(22)24-15-10-7-9-14-23-17(2)21/h7,9-10,15,18-19H,3-6,8,11-14,16H2,1-2H3/b9-7+,15-10-/t18-,19-/m1/s1
0 references
InChIKey
SCUPHZKUVOJZFO-SYWZUDTHSA-N
0 references
PubChem CID
44575450
2 references
stated in
PubChem
retrieved
3 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SCUPHZKUVOJZFO-SYWZUDTHSA-N
UniChem compound ID
561068
1 reference
stated in
UniChem
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