Details of Natural Product (NP)

General Information of Natural Product (ID: NP0602)
  Natural Product Name
Butyl Angelate
  Synonyms
Butyl angelate; 2-Butenoic acid, 2-methyl-, butyl ester, (Z)-; UNII-LD3H7EW728; LD3H7EW728; 7785-64-0; n-Butyl angelate; EINECS 232-084-1; Angelic acid n-butyl ester; SCHEMBL873334; Butyl 2-methylcrotonate (Z)-; Butyl(Z)-2-methylbut-2-enoate; 2-Methylisocrotonic acid butyl ester; ZINC20231080; 2- (butyl (Z)-2-methylbut-2-enoate); Q67879747
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  Formula C9H16O2
  Weight 156.22
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C9H16O2/c1-4-6-7-11-9(10)8(3)5-2/h5H,4,6-7H2,1-3H3/b8-5-
  InChI Key RBGFLIOXJWFKKX-YVMONPNESA-N
  Isomeric SMILES CCCCOC(=O)/C(=C\\C)/C
  Canonical SMILES CCCCOC(=O)C(=CC)C
  External Links PubChem ID 5364789
CAS ID 7785-64-0

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Chamaemelum nobile
  Factor Name: Locality Variation [1]
              Species Info Factor Info
               Experiment Detail
Two different Roman chamomile oils were obtained from Giardino Officinale in Casola Valsenio (RA - Italy). One oil was distilled from chamomile plants grown in the Emilia-Romagna region (E), and the other one came from the Piemonte region (P) in Northern Italy
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               Factor Function
No significant differences were found in the composition of the two oils which were characterized by a high content of isobutyl angelate (36.3-38.5%), 2-methylbutyl angelate (18.2-20.3%) and other angelate esters.
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               Factor Part Location NP Content
 
Locality: Emilia-Romagna region, Italy
 Whole plant Italy
NP Content: 0.8 %
 
Locality: Piemonte region, Italy
 Whole plant Italy
NP Content: 0.7 %
References
1 Study on Roman Chamomile (Chamaemelum nobile L. All.) Oil