Mol:FL2FACGS0004
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 |
| − | -0.6649 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6649 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6649 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6649 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1086 -1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1086 -1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4477 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4477 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4477 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4477 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1086 0.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1086 0.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0040 -1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0040 -1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5603 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5603 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5603 -0.2079 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.5603 -0.2079 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.0040 0.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0040 0.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1164 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1164 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6833 -0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6833 -0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2503 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2503 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2503 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2503 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6833 1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6833 1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1164 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1164 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0040 -1.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0040 -1.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8171 1.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8171 1.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2210 0.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2210 0.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6833 1.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6833 1.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1086 -1.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1086 -1.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4300 -0.3322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.4300 -0.3322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.0838 -0.7892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.0838 -0.7892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.5852 -0.5953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.5852 -0.5953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.0655 -0.6010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.0655 -0.6010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.4537 -0.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4537 -0.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9630 -0.4233 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.9630 -0.4233 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.8751 -0.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8751 -0.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4106 -1.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4106 -1.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2995 -1.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2995 -1.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2326 0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2326 0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2184 0.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2184 0.4715 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 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 19 1 0 0 0 0 | + | 25 19 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 -3.2326 0.3038 | + | M SVB 1 34 -3.2326 0.3038 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FACGS0004 | + | ID FL2FACGS0004 |
| − | KNApSAcK_ID C00008291 | + | KNApSAcK_ID C00008291 |
| − | NAME Eriodictyol 7-O-glucoside | + | NAME Eriodictyol 7-O-glucoside |
| − | CAS_RN 38965-51-4 | + | CAS_RN 38965-51-4 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | 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
-0.6649 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6649 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1086 -1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4477 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4477 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1086 0.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0040 -1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5603 -0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5603 -0.2079 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.0040 0.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1164 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6833 -0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2503 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2503 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6833 1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1164 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0040 -1.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8171 1.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2210 0.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6833 1.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1086 -1.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4300 -0.3322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0838 -0.7892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5852 -0.5953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0655 -0.6010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4537 -0.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9630 -0.4233 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.8751 -0.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4106 -1.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2995 -1.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2326 0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2184 0.4715 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
14 18 1 0 0 0 0
1 19 1 0 0 0 0
20 15 1 0 0 0 0
3 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 19 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 -3.2326 0.3038
S SKP 8
ID FL2FACGS0004
KNApSAcK_ID C00008291
NAME Eriodictyol 7-O-glucoside
CAS_RN 38965-51-4
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
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
