Details of Natural Product (NP)

General Information of Natural Product (ID: NP0746)
  Natural Product Name
3-Heptanone
  Synonyms
3-Heptanone; Heptan-3-one; 106-35-4; Butyl ethyl ketone; n-Butyl ethyl ketone; Aethylbutylketon; Ethylbutylcetone; Ethyl n-butyl ketone; Ethylbutylketon; Etilbutilchetone; Eptan-3-one; ETHYL BUTYL KETONE; Ethyl-n-butyl ketone; Heptan-3-on; Hexanone, methyl-; Aethylbutylketon [German]; UNII-10GA6SR3AT; NSC 8448; n-Heptan-3-one; Ethyl butyl ketone 3-Heptanone; Heptan-3-on [Dutch, German]; n-C4H9COC2H5; 10GA6SR3AT; Hexanone,methyl-; Aethylbutylketon (german); Heptan-3-on (DUTCH, GERMAN); Ethylbutylketon [Dutch]; Eptan-3-one [Italian]; Ethylbutylcetone [French]; Etilbutilchetone [Italian]; 91606-98-3; FEMA No. 2545; HSDB 1816; EINECS 203-388-1; BRN 0506161; AI3-19684; 3-Oxoheptane; MFCD00009483; 3-Heptanone, 96%; 4-01-00-03321 (Beilstein Handbook Reference); SCHEMBL105902; WLN: 4V2; DTXSID2047438; Fehling's reagent II for sugars; 3-Heptanone, analytical standard; CHEBI:50139; FEMA 2545; NSC8448; NSC-8448; ZINC1586745; 7786AF; BBL011476; LMFA12000047; STL146588; AKOS005721019; MCULE-7758340382; VS-02958; FT-0615773; H0038; EN300-72299; D90783; A801423; J-512587; Q1287838; Z1259086980; 3-Heptanone solution, NMR reference standard, 1% in chloroform-d (99.8 atom % D), NMR tube size 5 mm x 8 in.
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  Formula C7H14O
  Weight 114.19
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3
  InChI Key NGAZZOYFWWSOGK-UHFFFAOYSA-N
  Isomeric SMILES CCCCC(=O)CC
  Canonical SMILES CCCCC(=O)CC
  External Links PubChem ID 7802
CAS ID 106-35-4

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Thymus pseudopulegioides
  Factor Name: Locality Variation [1]
              Species Info Factor Info
               Experiment Detail
Plant materials were collected from the following localities in north western Turkey. A = Trabzon: Caykara, Soganli dag on July 28, 1994; B = Bayburt: Caykara, Mohakambo yaylasi on July 25, 1994; C = Trabzon: Koprubasi, Vizara yaylasi on July 20, 1994.
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               Factor Function
One hundred and four compounds were identified representing 97.5-99.5% of the total components detected in thymol/carvacrol (50.14/10.67%), thymol/linalool (23.14/20.24%) and linalool/alpha-terpinyl acetate/geraniol (21.55/16.70/11.17%) rich oils.
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               Factor Part Location NP Content
 
Locality: Soganli dag, Caykara, Trabzon, Eskisehir, Turkey
 Aerial parts Eskisehir, Turkey
NP Content: <0.1 %
References
1 Composition of the Essential Oil of Thymus pseudopulegioides Klokov et Des.-Shost from Turkey