Mol:FL2F3CGS0003

From Metabolomics.JP
Jump to: navigation, search

FL2F3CGS0003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 41 44  0  0  0  0  0  0  0  0999 V2000 
   -0.4098   -0.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3028    0.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4066   -0.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3101   -1.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0228   -0.8557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0191   -0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7390   -1.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4517   -0.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4480   -0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7317    0.3850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1018    0.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8179   -0.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5307    0.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5275    1.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8115    1.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0986    1.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7401   -1.9082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0353    0.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1835    1.5657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1613   -0.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3028    1.0757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7401    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3274   -0.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5291   -0.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7356   -0.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1482    0.3924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9466    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1036    0.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5834    1.0462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2233   -0.0731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7761   -0.0456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7006   -0.7354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7006   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2607   -1.7062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2690   -1.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8614   -0.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1835    0.4847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1624   -0.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5834    1.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1138    1.9082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0352    1.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  1  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  2  1  0  0  0  0 
  5  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  6  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
  2 21  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 22 30  1  0  0  0  0 
 23 31  1  0  0  0  0 
 24 32  1  0  0  0  0 
 25 18  1  0  0  0  0 
 32 33  1  0  0  0  0 
 33 34  2  0  0  0  0 
 33 35  1  0  0  0  0 
 30 36  1  0  0  0  0 
 36 37  2  0  0  0  0 
 36 38  1  0  0  0  0 
 29 39  1  0  0  0  0 
 39 40  2  0  0  0  0 
 39 41  1  0  0  0  0 
S  SKP  8 
ID	FL2F3CGS0003 
KNApSAcK_ID	C00014341 
NAME	7,8,3',4'-Tetrahydroxyflavanone 7-(2,4,6-triacetylglucoside) 
CAS_RN	194600-21-0 
FORMULA	C27H28O14 
EXACTMASS	576.147905604 
AVERAGEMASS	576.50282 
SMILES	C(O1)(Oc(c4)c(c(O2)c(c4)C(CC(c(c3)ccc(O)c3O)2)=O)O)C(OC(C)=O)C(O)C(OC(C)=O)C1COC(C)=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox