Mol:FL3FACGS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.0186 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0186 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0186 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0186 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4325 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4325 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8836 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8836 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8836 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8836 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4325 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4325 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3346 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3346 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7857 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7857 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7857 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7857 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3346 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3346 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5063 -1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5063 -1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2366 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2366 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6963 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6963 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1560 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1560 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1560 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1560 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6963 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6963 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2366 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2366 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5381 0.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5381 0.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4325 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4325 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6963 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6963 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6157 0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6157 0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9019 -0.1330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.9019 -0.1330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.3862 -0.8136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.3862 -0.8136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.6437 -0.5249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.6437 -0.5249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.9273 -0.5172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.9273 -0.5172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.4479 0.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4479 0.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0975 -0.3393 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.0975 -0.3393 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.6157 -0.5451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6157 -0.5451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1901 -0.8528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1901 -0.8528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2183 -1.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2183 -1.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3026 0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3026 0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2571 0.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2571 0.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 34 -2.3026 0.5743 | + | M SVB 1 34 -2.3026 0.5743 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACGS0007 | + | ID FL3FACGS0007 |
| − | KNApSAcK_ID C00004266 | + | KNApSAcK_ID C00004266 |
| − | NAME Luteolin 7-glucoside | + | NAME Luteolin 7-glucoside |
| − | CAS_RN 5373-11-5 | + | CAS_RN 5373-11-5 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES c(c1)c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)cc(c(O)1)O | + | SMILES c(c1)c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)cc(c(O)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.0186 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0186 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4325 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8836 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8836 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4325 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3346 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7857 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7857 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3346 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5063 -1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2366 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6963 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1560 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1560 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6963 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2366 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5381 0.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4325 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6963 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6157 0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9019 -0.1330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3862 -0.8136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6437 -0.5249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9273 -0.5172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4479 0.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0975 -0.3393 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.6157 -0.5451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1901 -0.8528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2183 -1.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3026 0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2571 0.8725 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
15 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 18 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 CH2OH
M SVB 1 34 -2.3026 0.5743
S SKP 8
ID FL3FACGS0007
KNApSAcK_ID C00004266
NAME Luteolin 7-glucoside
CAS_RN 5373-11-5
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES c(c1)c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)cc(c(O)1)O
M END
