Mol:FL3FACGS0062
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
1.3079 -0.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3079 -1.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7590 -1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2100 -1.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2100 -0.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7590 -0.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6611 -1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1122 -1.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1122 -0.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6611 -0.6094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6611 -2.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5631 -0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0228 -0.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4825 -0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4825 -0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0228 0.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5631 -0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7884 -0.5699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7590 -2.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0768 0.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0228 0.7175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1323 -0.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6166 -1.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8741 -1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1577 -1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6783 -0.5993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3279 -0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8461 -1.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4204 -1.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4487 -1.8420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9036 -0.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9036 0.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9036 0.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4534 1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3948 1.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8399 0.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3786 1.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3786 1.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9449 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5112 1.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5112 1.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9449 0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0768 2.1704 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
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
40 43 1 0 0 0 0
S SKP 8
ID FL3FACGS0062
KNApSAcK_ID C00004324
NAME Luteolin 7-(6''-p-coumarylglucoside)
CAS_RN 111188-76-2
FORMULA C30H26O13
EXACTMASS 594.137340918
AVERAGEMASS 594.51964
SMILES C(C=4)(=O)c(c(OC4c(c5)cc(O)c(c5)O)1)c(O)cc(OC(O2)C(C(O)C(C2COC(C=Cc(c3)ccc(O)c3)=O)O)O)c1
M END
