Mol:FL3FACNSS003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.2538 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2538 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8027 -1.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3517 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3517 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8027 0.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9006 -1.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4495 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4495 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9006 0.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9006 -1.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0014 0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 -0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9208 0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9208 0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0014 0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7733 0.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8027 -1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2967 0.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2967 1.0580 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.7982 1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7733 1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2967 1.5323 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
16 20 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
22 25 2 0 0 0 0
23 15 1 0 0 0 0
S SKP 8
ID FL3FACNSS003
KNApSAcK_ID C00004330
NAME Luteolin 4'-sulfate
CAS_RN 60889-07-8
FORMULA C15H10O9S
EXACTMASS 366.00455260800004
AVERAGEMASS 366.30050000000006
SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)cc(O)c(c2)OS(O)(=O)=O
M END
