Mol:FL5FAANSS005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
1.1286 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1286 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 0.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 -1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 -1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 -1.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1582 0.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0917 -1.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1582 1.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 -1.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7234 1.2419 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.3102 1.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1023 1.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7261 1.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 2 0 0 0 0
22 24 2 0 0 0 0
22 25 1 0 0 0 0
13 22 1 0 0 0 0
S SKP 8
ID FL5FAANSS005
KNApSAcK_ID C00013808
NAME Kaempferol 8-C-sulfate;3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-sulfonic acid
CAS_RN 760157-61-7
FORMULA C15H10O9S
EXACTMASS 366.00455260800004
AVERAGEMASS 366.30050000000006
SMILES Oc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c1c(c(O)c2)S(O)(=O)=O
M END
