Mol:FL3FAAGS0069

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 45 49  0  0  0  0  0  0  0  0999 V2000 
    1.2186   -0.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2186   -1.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9330   -1.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6475   -1.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6475   -0.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9330    0.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3620   -1.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0764   -1.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0764   -0.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3620    0.0771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7909    0.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5054   -0.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.2199    0.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.2199    0.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5054    1.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7909    0.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3620   -2.3979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9330   -2.3979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.9662    1.3330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4990    0.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0206    0.9709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4326    1.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0206    2.3979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2564    1.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6684    0.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4923    0.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9048    1.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.7298    1.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.1423    0.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.7298    0.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9048    0.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.9662    0.9709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1281    0.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7154   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9171   -0.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1236   -0.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5362    0.2853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3346    0.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4915    0.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7474    0.0141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0886   -0.8426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2023   -0.2346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7352   -1.0963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7352   -0.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1956   -0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  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  1  1  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  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 
  3 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 20  1  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 22 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  2  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  2  0  0  0  0 
 29 30  1  0  0  0  0 
 30 31  2  0  0  0  0 
 31 26  1  0  0  0  0 
 29 32  1  0  0  0  0 
 33 34  1  1  0  0  0 
 34 35  1  1  0  0  0 
 36 35  1  1  0  0  0 
 36 37  1  0  0  0  0 
 37 38  1  0  0  0  0 
 38 33  1  0  0  0  0 
 38 39  1  0  0  0  0 
 33 40  1  0  0  0  0 
 34 42  1  0  0  0  0 
 35 41  1  0  0  0  0 
 36 20  1  0  0  0  0 
 21 39  1  0  0  0  0 
 42 44  1  0  0  0  0 
 43 44  2  0  0  0  0 
 44 45  1  0  0  0  0 
S  SKP  8 
ID	FL3FAAGS0069 
KNApSAcK_ID	C00013619 
NAME	Apigenin 7-(3''-acetyl-6''-E-p-coumaroylglucoside);7-[[3-O-Acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-b-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 
CAS_RN	474766-92-2 
FORMULA	C32H28O13 
EXACTMASS	620.152990982 
AVERAGEMASS	620.55692 
SMILES	c(c5)c(ccc(O)5)C=CC(=O)OCC(O1)C(O)C(C(C1Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3)O)=CC2=O)O)OC(C)=O 
M  END