Mol:FL7AAAGL0053

<pre>

Copyright: ARM project http://www.metabolome.jp/
 49 54  0  0  0  0  0  0  0  0999 V2000
   -1.3924    1.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7914    1.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7914    2.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3924    2.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9934    2.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9934    1.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1904    1.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4106    1.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4106    2.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1904    2.7049    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    1.0464    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6149    2.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1834    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1834    3.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6149    3.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0464    3.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6975    3.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5544    2.6818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3924    0.8382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7368    1.0383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8440   -0.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2237    0.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2914   -0.3493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0693   -1.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5510   -1.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4834   -0.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8059    0.5097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9480   -1.1274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1561   -1.9773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5923    0.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1798    0.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1603   -0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5639   -0.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9765   -1.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9959   -0.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8334    0.8472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6975    0.1326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5639   -1.4396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5924   -1.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0971   -2.3274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0971   -3.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6370   -3.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4493   -3.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0165   -3.7096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7488   -3.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0693   -1.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4756   -2.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4756   -2.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1567   -3.1570    0.0000 O   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
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  3  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
 14 17  1  0  0  0  0
  5 18  1  0  0  0  0
  1 19  1  0  0  0  0
  8 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 24 23  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 20 22  1  0  0  0  0
 26 28  1  0  0  0  0
 25 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  1  0  0  0
 33 32  1  1  0  0  0
 34 33  1  1  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 32 37  1  0  0  0  0
 33 38  1  0  0  0  0
 34 39  1  0  0  0  0
 39 40  1  0  0  0  0
 19 30  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 24 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 48 45  1  0  0  0  0
S  SKP  8
ID	FL7AAAGL0053
KNApSAcK_ID	C00011097
NAME	3,5-di-O-(beta-Glucopyranosyl) pelargonidin 6''-O-4, 6'''-O-1-cyclic malate
CAS_RN	-
FORMULA	C31H33O18
EXACTMASS	693.166689252
AVERAGEMASS	693.5829200000001
SMILES	C(O1)(O5)C(C(C(C(COC(=O)CC(C(OCC(O2)C(O)C(C(C(Oc(c63)cc(cc([o+1]c(c(c6)5)c(c4)ccc(O)c4)3)O)2)O)O)=O)O)1)O)O)O
M  END

</pre>