Jasmonic acid
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Formula: C12H18O3
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Molecular weight: 210.27
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Smiles: CCC=CCC1C(CCC1=O)CC(=O)O
Jasmonic acid
Names
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Mycotoxin name: Jasmonic acid
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First synonym: Jasmonic acid
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Synonyms: Jasmonic acid,(-)-Jasmonic acid,Jasmonate,6894-38-8,trans-Jasmonic Acid,(+/-)-Jasmonic acid,UNII-6RI5N05OWW,3-Oxo-2-(2-pentenyl)cyclopentaneacetic acid,(3R,7R)-Jasmonic acid,{(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid,2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid,6RI5N05OWW,77026-92-7,(1R,2R)-3-oxo-2-(pent-2Z-enyl)-cyclopentaneacetic acid,CHEMBL449572,trans-Jasmonic Acid (1 g/ 10 mL Ethanol),CHEBI:18292,Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-pentenyl-, (1R,2R)-,TNP00291,(-)-jasmonate,{(1R,2R)-3-Oxo-2-[(Z)pent-2-enyl]cyclopent-2-enyl}acetic acid,(Z)-2-(2-(but-2-en-1-yl)-4-oxocyclopentyl)-acetic acid,2-{(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl}acetate,2-[(1R,2R)-2-((2Z)pent-2-enyl)-3-oxocyclopentyl]acetic acid,()-Jasmonic acid,JA,(+-)-Jasmonic acid,bmse000525,SCHEMBL114054,DTXSID4037665,(3R,7R)-(?)-Jasmonic acid,CMC_7387,ZINC4492883,1054AH,BDBM50396691,CMC_13965,LMFA02020001,NCGC00017349-01,NCGC00017349-02,NCGC00142527-01,ST057248,HY-122464,CS-0085641,A14333,C08491,Q415311,J-502581,3-Oxo-2R-(2Z)2-penten-1R-ylcyclopentaneacetic acid,E9BF63E8-55FE-4051-AE00-04B002D8CE1F,(1R,2R)-3-oxo-2-(2Z)-2-penten-ylcyclopentanacetic acid,(1r,2r)-3-oxo-2-(2z)-2-pentenyl-cyclopentaneacetic acid,()-1alpha,2beta-3-Oxo-2-(cis-2-pentenyl)cyclopentaneacetic acid,(-)-1alpha,2beta-3-Oxo-2-(cis-2-pentenyl)cyclopentaneacetic acid,Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, (Z)-trans- (8CI),cyclopentaneacetic acid, 3-oxo-2-[(2Z)-2-pentenyl]-, (1R,2R)-,Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, [1R-[1alpha,2beta(Z)]]-,Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-pentenyl-, (1R,2R)- (9CI)
Identifiers / External links
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CAS: 6894-38-8,77026-92-7
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PubChem CID: 5281166
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DSS TOX CID: DTXCID2017665
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ChemSpiderID: 4444606
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ChEMBL: CHEMBL114054,CHEMBL449572
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US FDA (UNII): UNII-6RI5N05OWW
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Wikidata (wiki): Q415311
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Chemical Entities of Biological Interest (CHEBI): CHEBI:18292
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CompTox Chemicals Dashboard (DTXSID): DTXSID4037665
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SCHEMBL: SCHEMBL114054
Structure
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Smiles: CCC=CCC1C(CCC1=O)CC(=O)O
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Isomeric smiles: CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O
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Inchi: InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1
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Inchikey: ZNJFBWYDHIGLCU-HWKXXFMVSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C12H18O3
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Molecular weight: 210.27
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Monoisotopic mass: 210.125594432
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Fungi
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Fungi id Species 587 Gibberella fujikuroi