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(Q77505321)
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English
(1S,2R)-3-oxo-2-pentylcyclopentane-1-hexanoic acid methyl ester
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 6-(3-oxo-2-pentylcyclopentyl)hexanoate
1 reference
based on heuristic
inferred from SMILES
mass
282.21949482
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,2S)-3-oxo-2-pentylcyclopentane-1-hexanoic acid methyl ester
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₇H₃₀O₃
0 references
canonical SMILES
O=C(OC)CCCCCC1CCC(=O)C1CCCCC
0 references
isomeric SMILES
CCCCC[C@@H]1[C@H](CCC1=O)CCCCCC(=O)OC
0 references
found in taxon
Fusarium oxysporum
1 reference
stated in
Jasmonates and related compounds from Fusarium oxysporum
Identifiers
InChI
InChI=1S/C17H30O3/c1-3-4-6-10-15-14(12-13-16(15)18)9-7-5-8-11-17(19)20-2/h14-15H,3-13H2,1-2H3/t14-,15+/m0/s1
0 references
InChIKey
JHOXQZUAUCLZOH-LSDHHAIUSA-N
2 references
stated in
PubChem
PubChem CID
139586383
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139586383
language of work or name
English
PubChem CID
139586383
2 references
stated in
PubChem
PubChem CID
139586383
language of work or name
English
matched by identifier from
InChIKey
InChIKey
JHOXQZUAUCLZOH-LSDHHAIUSA-N
ChEBI ID
221167
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H30O3/c1-3-4-6-10-15-14(12-13-16(15)18)9-7-5-8-11-17(19)20-2/h14-15H,3-13H2,1-2H3/t14-,15+/m0/s1
UniChem compound ID
170909640
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA011806
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JHOXQZUAUCLZOH-LSDHHAIUSA-N
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