Mol:FL5FAAGL0065
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-3.8768 1.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8768 1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3205 0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7642 1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7642 1.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3205 2.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2079 0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6516 1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6516 1.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2079 2.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2079 0.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0955 2.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5286 1.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0384 2.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0384 2.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5286 3.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0955 2.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0035 0.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0419 1.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3457 0.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3997 0.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1497 0.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5374 1.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7919 0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6852 0.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0607 1.2661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0237 0.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6052 3.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3205 0.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4878 1.9133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7786 0.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1242 -0.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1242 -0.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6239 -1.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7565 -1.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7565 -2.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3340 -2.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9114 -2.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9114 -1.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3340 -1.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4878 -1.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4878 -2.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3340 -3.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
22 21 1 1 0 0 0
15 28 1 0 0 0 0
3 29 1 0 0 0 0
1 30 1 0 0 0 0
22 31 1 0 0 0 0
31 32 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
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 35 1 0 0 0 0
39 41 1 0 0 0 0
38 42 1 0 0 0 0
37 43 1 0 0 0 0
S SKP 8
ID FL5FAAGL0065
KNApSAcK_ID C00005847
NAME Kaempferol 3-(6''-galloylglucoside)
CAS_RN 56317-05-6
FORMULA C28H24O15
EXACTMASS 600.111520098
AVERAGEMASS 600.48116
SMILES Oc(c1)c(c(O)cc1C(OCC(C(O)5)OC(C(O)C5O)OC(=C3c(c4)ccc(O)c4)C(c(c(O3)2)c(cc(O)c2)O)=O)=O)O
M END
