Mol:FL3FACGS0052
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
0.2162 1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2162 0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6672 0.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1183 0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1183 1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6672 1.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5694 0.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0204 0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0204 1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5694 1.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5694 -0.1150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4713 1.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9311 1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3908 1.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3908 1.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9311 2.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4713 1.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3033 1.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6672 -0.2287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9851 2.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8709 1.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3553 0.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6128 0.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8963 0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4169 1.4992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1754 1.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4474 1.0297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1591 0.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1873 0.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9311 2.6596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2257 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6415 -0.7288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8099 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8099 -1.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3941 -1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9246 -1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4552 -1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4552 -2.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9246 -2.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3941 -2.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9851 -2.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4710 2.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7565 1.6217 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 18 1 0 0 0 0
16 30 1 0 0 0 0
29 31 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
33 34 2 0 0 0 0
34 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
38 41 1 0 0 0 0
26 42 1 0 0 0 0
42 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 42 43
M SBL 1 1 46
M SMT 1 ^CH2OH
M SBV 1 46 -6.5885 7.5824
S SKP 8
ID FL3FACGS0052
KNApSAcK_ID C00004312
NAME Luteolin 7-(2''-p-coumaroylglucoside)
CAS_RN 95596-61-5
FORMULA C30H26O13
EXACTMASS 594.137340918
AVERAGEMASS 594.51964
SMILES c(O)(c12)cc(OC(O5)C(C(C(C5CO)O)O)OC(=O)C=Cc(c4)ccc(c4)O)cc1OC(c(c3)cc(O)c(c3)O)=CC(=O)2
M END
