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(Q105112846)
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Grenadadiene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(5-Acetyloxy-4-bromopenta-1,3-dienyl) 3-(2-heptylcyclopropyl)propanoate
1 reference
based on heuristic
inferred from SMILES
(3Z)-5-(acetyloxy)-4-bromopenta-1,3-dien-1-yl 3-(2-heptylcyclopropyl)propanoate
1 reference
based on heuristic
inferred from SMILES
mass
414.140571572
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₁BrO₄
0 references
canonical SMILES
O=C(OCC(Br)=CC=COC(=O)CCC1CC1CCCCCCC)C
0 references
isomeric SMILES
CCCCCCC[C@H]1C[C@@H]1CCC(=O)O/C=C\C=C(/Br)COC(C)=O
0 references
found in taxon
Lyngbya majuscula
4 references
stated in
Grenadadiene and grenadamide, cyclopropyl-containing fatty acid metabolites from the marine cyanobacterium Lyngbya majuscula
stated in
Grenadadiene and grenadamide, cyclopropyl-containing fatty acid metabolites from the marine cyanobacterium Lyngbya majuscula
stated in
Grenadadiene and grenadamide, cyclopropyl-containing fatty acid metabolites from the marine cyanobacterium Lyngbya majuscula
stated in
Grenadadiene and grenadamide, cyclopropyl-containing fatty acid metabolites from the marine cyanobacterium Lyngbya majuscula
Identifiers
InChI
InChI=1S/C20H31BrO4/c1-3-4-5-6-7-9-17-14-18(17)11-12-20(23)24-13-8-10-19(21)15-25-16(2)22/h8,10,13,17-18H,3-7,9,11-12,14-15H2,1-2H3/b13-8-,19-10-/t17-,18-/m0/s1
0 references
InChIKey
IGWLQLNRNKKQCR-QMGMKAADSA-N
0 references
PubChem CID
10835643
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IGWLQLNRNKKQCR-QMGMKAADSA-N
ChEBI ID
227619
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H31BrO4/c1-3-4-5-6-7-9-17-14-18(17)11-12-20(23)24-13-8-10-19(21)15-25-16(2)22/h8,10,13,17-18H,3-7,9,11-12,14-15H2,1-2H3/b13-8-,19-10-/t17-,18-/m0/s1
UniChem compound ID
32236900
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID101335431
1 reference
matched by identifier from
InChIKey
InChIKey
IGWLQLNRNKKQCR-QMGMKAADSA-N
Natural Product Atlas ID
NPA017575
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IGWLQLNRNKKQCR-QMGMKAADSA-N
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