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ScientificNameLabel
coumarin 2",3"-dihydroxy-furanocoumarin (oxypeucedanin hydrate)
PHCD compound ID : 5527
Chemical Names :
coumarin 2",3"-dihydroxy-furanocoumarin (oxypeucedanin hydrate)
Molecular Formula : C16H16O6
Molecular Weight : 304.094688
More Details :
Names & Synonyms: 4-[(2R)-2,3-dihydroxy-3-methyl-butoxy]furo[3,2-g]chromen-7-one , 4-[(2R)-2,3-dihydroxy-3-methylbutoxy]-7-furo[3,2-g][1]benzopyranone , 4-[(2R)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one , 4-[(2R)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one , 4-[(2R)-3-methyl-2,3-bis(oxidanyl)butoxy]furo[3,2-g]chromen-7-one
Smiles: O=c1ccc2c(o1)cc1c(c2OC[C@H](C(O)(C)C)O)cco1
InChi : InChI=1S/C16H16O6/c1-16(2,19)13(17)8-21-15-9-3-4-14(18)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,17,19H,8H2,1-2H3/t13-/m1/s1
InChi Key : InChIKey=PEWFWDOPJISUOK-CYBMUJFWSA-N
PubChem ID : 17536
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 9.012899
Hydrogen bond donor count : 2 Electric dipole moment : 7.045
XLogP : 0.833 VDW volume : 263.345445
Molecular weight : 304.094688 HOMO-LUMO gap : 8.007000
Herb list :
Refrences & Litretures:
  
930.      Journal:'Natural Product Communications'      Year:'2011'      Volume:'6'      Page:'961'      DOI:''      Title:'Phenolic Chemical Composition of Petroselinum crispum Extract and Its Effect on Haemostasis'
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