Mol:FL3FACGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
38 41 0 0 0 0 0 0 0 0999 V2000
-0.3452 -0.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3452 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1553 -1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6557 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6557 -0.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1553 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1562 -1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6566 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6566 -0.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1562 0.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1567 0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6871 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2174 0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2174 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6871 1.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1567 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1553 -1.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8453 0.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1562 -1.6265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2121 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7067 -0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0856 -0.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3710 -0.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8763 0.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4974 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5900 -0.7678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7473 -0.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3379 -0.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9793 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9793 0.8077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7473 1.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7473 -0.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5387 1.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9031 1.6126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9950 1.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4794 1.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1008 1.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1548 0.9237 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
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
3 17 1 0 0 0 0
1 18 1 0 0 0 0
7 19 2 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
23 18 1 0 0 0 0
22 26 1 0 0 0 0
20 27 1 0 0 0 0
21 28 1 0 0 0 0
25 29 1 0 0 0 0
29 30 1 0 0 0 0
14 31 1 0 0 0 0
13 32 1 0 0 0 0
30 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
S SKP 8
ID FL3FACGS0001
KNApSAcK_ID C00001067
NAME Luteolin 7-O-(6''-malonylglucoside)
CAS_RN 98767-38-5
FORMULA C24H22O14
EXACTMASS 534.100955412
AVERAGEMASS 534.42308
SMILES O=C(CC(O)=O)OCC(C(O)4)OC(C(C4O)O)Oc(c3)cc(c1c(O)3)OC(c(c2)cc(c(c2)O)O)=CC1=O
M END
