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(Q77518021)
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English
(1S,2R)-3-oxo-2-pentylcyclopentane-1-octanoic acid
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
8-(3-oxo-2-pentylcyclopentyl)octanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
296.235144884
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
8-[(1R,2R)-3-oxo-2-pentylcyclopentyl]octanoic acid
1 reference
based on heuristic
inferred from InChI
(1S,2S)-3-oxo-2-pentylcyclopentane-1-octanoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₃₂O₃
0 references
canonical SMILES
O=C(O)CCCCCCCC1CCC(=O)C1CCCCC
0 references
isomeric SMILES
CCCCC[C@@H]1[C@H](CCC1=O)CCCCCCCC(=O)O
0 references
found in taxon
Fusarium oxysporum
2 references
stated in
Jasmonates and related compounds from Fusarium oxysporum
stated in
Jasmonates and related compounds from Fusarium oxysporum
Identifiers
InChI
InChI=1S/C18H32O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h15-16H,2-14H2,1H3,(H,20,21)/t15-,16+/m0/s1
0 references
InChIKey
ITXGIRZCCUTEJX-JKSUJKDBSA-N
2 references
stated in
PubChem
PubChem CID
100988719
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
100988719
language of work or name
English
PubChem CID
100988719
2 references
stated in
PubChem
PubChem CID
100988719
language of work or name
English
matched by identifier from
InChIKey
InChIKey
ITXGIRZCCUTEJX-JKSUJKDBSA-N
ChEBI ID
208914
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H32O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h15-16H,2-14H2,1H3,(H,20,21)/t15-,16+/m0/s1
UniChem compound ID
97537699
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA013876
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ITXGIRZCCUTEJX-JKSUJKDBSA-N
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