Mol:FL3FECGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.6281 0.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6281 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1770 -0.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2740 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2740 0.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1770 0.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7251 -0.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1762 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1762 0.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7251 0.8385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7251 -0.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6271 0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0868 0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5465 0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5465 1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0868 1.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6271 1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0868 2.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1367 1.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1770 -0.7230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0782 0.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5602 -1.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0446 -1.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3021 -1.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5856 -1.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1062 -0.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8647 -1.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1367 -1.4652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8484 -1.8521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8766 -2.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0782 -0.2027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1602 -0.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4458 -0.8732 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
16 18 1 0 0 0 0
19 15 1 0 0 0 0
3 20 1 0 0 0 0
1 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
25 20 1 0 0 0 0
2 31 1 0 0 0 0
27 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 ^CH2OH
M SBV 1 35 -9.1241 5.4381
S SKP 8
ID FL3FECGS0002
KNApSAcK_ID C00004377
NAME 6-Hydroxyluteolin 5-glucoside
CAS_RN 80007-06-3
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES C(C1Oc(c42)c(O)c(O)cc2OC(=CC4=O)c(c3)cc(c(O)c3)O)(O)C(O)C(O)C(O1)CO
M END
