Mol:FL3FACGS0061
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
1.0251 -0.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0251 -1.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4762 -1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9272 -1.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9272 -0.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4762 -0.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3783 -1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8294 -1.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8294 -0.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3783 -0.6094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3783 -2.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2803 -0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7400 -0.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1997 -0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1997 -0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7400 0.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2803 -0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5056 -0.5699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4762 -2.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7940 0.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7400 0.7175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4151 -0.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8994 -1.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1569 -1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4405 -1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9611 -0.5993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6107 -0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1289 -1.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7033 -1.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7315 -1.8420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1864 -0.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1864 0.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1864 0.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7363 1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6776 1.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1227 0.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6614 1.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6614 1.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2277 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7940 1.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7940 1.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2277 0.8629 0.0000 C 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
16 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
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
27 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 41 1 0 0 0 0
41 42 2 0 0 0 0
42 37 1 0 0 0 0
25 18 1 0 0 0 0
S SKP 8
ID FL3FACGS0061
KNApSAcK_ID C00004323
NAME Luteolin 7-(6''-E-cinnamylglucoside)
CAS_RN 111150-40-4
FORMULA C30H26O12
EXACTMASS 578.1424262959999
AVERAGEMASS 578.5202400000001
SMILES C(C=4)(=O)c(c(OC4c(c5)cc(O)c(c5)O)1)c(O)cc(OC(C3O)OC(C(C(O)3)O)COC(C=Cc(c2)cccc2)=O)c1
M END
