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ScientificNameLabel
Caftaric acid
PHCD compound ID : 1592
Chemical Names :
Caftaric acid , Monocaffeoyl meso-tartaric acid , Caffeoyl tartaric acid
Molecular Formula : C13H12O9
Molecular Weight : 312.048132
More Details :
Names & Synonyms: (2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxy-butanedioic acid , (2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-3-hydroxybutanedioic acid , (2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid , (2R,3R)-2-[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy-3-oxidanyl-butanedioic acid , (2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-3-hydroxy-succinic acid
Smiles: O=C(O[C@H]([C@H](C(=O)O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O
InChi : InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1
InChi Key : InChIKey=SWGKAHCIOQPKFW-JTNORFRNSA-N
PubChem ID : 6440397
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 9 Ionization potential : 9.221612
Hydrogen bond donor count : 5 Electric dipole moment : 2.825
XLogP : -0.53 VDW volume : 270.80463
Molecular weight : 312.048132 HOMO-LUMO gap : 8.103000
Herb list :
Refrences & Litretures:
  
175.      Journal:'Zeb SpringerPlus'      Year:'2015'      Volume:'4'      Page:'714'      DOI:'10.1186/s40064-015-1514-5'      Title:'Phenolic profile and antioxidant potential of wild watercress (Nasturtium officinale L.)'
333.      Journal:'International Journal of Food Microbiology'      Year:'2012'      Volume:'153'      Page:'21'      DOI:'10.1016/j.ijfoodmicro.2011.10.010'      Title:'Effect of Equisetum arvense and Stevia rebaudiana extracts on growth and mycotoxin production by Aspergillus flavus and Fusarium verticillioides in maize seeds as affected by water activity'
443.      Journal:'Food Chemistry'      Year:'2015'      Volume:'166'      Page:'179'      DOI:'10.1016/j.foodchem.2014.06.011'      Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'
646.      Journal:'J. EVOL. BIOL'      Year:'2009'      Volume:'22'      Page:'1295'      DOI:'10.1111/j.1420-9101.2009.01747.x'      Title:'Heritability, covariation and natural selection on 24 traits of common evening primrose (Oenothera biennis) from a ?eld experiment'
820.      Journal:'Not Bot Horti Agrobo'      Year:'2013'      Volume:'41'      Page:'414'      DOI:''      Title:'Chemical Composition of Celandine (Chelidonium majus L.) Extract and its Efects on Botrytis tulipae (Lib.) Lind Fungus and the Tulip'
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