Mol:FL3FFCGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
0.0244 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0244 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4754 -0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9265 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9265 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4754 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3776 -0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8286 -0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8286 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3776 0.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3776 -1.3670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2795 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7392 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1990 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1990 0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7392 0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2795 0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7392 1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4754 -1.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4285 0.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8202 0.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1064 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5908 -0.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8483 -0.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1318 -0.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6525 0.3383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3021 -0.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8202 -0.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3946 -0.5180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4229 -0.9043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4754 0.6145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4212 0.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2181 0.6074 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
3 19 1 0 0 0 0
1 20 1 0 0 0 0
21 15 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
6 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 -7.3877 3.6733
S SKP 8
ID FL3FFCGS0002
KNApSAcK_ID C00004418
NAME 8-Hydroxyluteolin 7-glucoside
CAS_RN 32455-43-9
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES C(C1Oc(c(O)2)cc(O)c(C(=O)4)c2OC(=C4)c(c3)cc(c(O)c3)O)(O)C(O)C(O)C(O1)CO
M END
