Mol:FL7AACGL0001
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 |
| − | -2.7097 0.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7097 0.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7097 -0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7097 -0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2092 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2092 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7088 -0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7088 -0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7088 0.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7088 0.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2092 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2092 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2083 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2083 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7079 -0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7079 -0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7079 0.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7079 0.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2083 0.4859 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -1.2083 0.4859 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2077 0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2077 0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2993 0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2993 0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8063 0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8063 0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8063 1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8063 1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2993 1.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2993 1.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2077 1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2077 1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2965 -0.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2965 -0.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8585 -0.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8585 -0.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4664 -1.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4664 -1.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2203 -1.0503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2203 -1.0503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9787 -1.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9787 -1.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3708 -0.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3708 -0.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6169 -0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6169 -0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3849 -0.7137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3849 -0.7137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8855 -0.3369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8855 -0.3369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9447 -0.7406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9447 -0.7406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2098 0.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2098 0.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2092 -1.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2092 -1.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3124 1.3634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3124 1.3634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2328 0.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2328 0.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4129 -1.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4129 -1.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2098 -1.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2098 -1.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 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 |
| − | 8 17 1 0 0 0 0 | + | 8 17 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 19 17 1 0 0 0 0 | + | 19 17 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 1 27 1 0 0 0 0 | + | 1 27 1 0 0 0 0 |
| − | 3 28 1 0 0 0 0 | + | 3 28 1 0 0 0 0 |
| − | 14 29 1 0 0 0 0 | + | 14 29 1 0 0 0 0 |
| − | 13 30 1 0 0 0 0 | + | 13 30 1 0 0 0 0 |
| − | 21 31 1 0 0 0 0 | + | 21 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 SBV 1 34 -4.0142 2.6430 | + | M SBV 1 34 -4.0142 2.6430 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AACGL0001 | + | ID FL7AACGL0001 |
| − | KNApSAcK_ID C00002374 | + | KNApSAcK_ID C00002374 |
| − | NAME Cyanidin 3-O-glucoside;Chrysanthemin | + | NAME Cyanidin 3-O-glucoside;Chrysanthemin |
| − | CAS_RN 7084-24-4 | + | CAS_RN 7084-24-4 |
| − | FORMULA C21H21O11 | + | FORMULA C21H21O11 |
| − | EXACTMASS 449.108386514 | + | EXACTMASS 449.108386514 |
| − | AVERAGEMASS 449.38484 | + | AVERAGEMASS 449.38484 |
| − | SMILES C(C1Oc(c(c(c4)cc(c(O)c4)O)3)cc(c2[o+1]3)c(cc(O)c2)O)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c(c(c4)cc(c(O)c4)O)3)cc(c2[o+1]3)c(cc(O)c2)O)(O)C(O)C(O)C(O1)CO |
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
-2.7097 0.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7097 -0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2092 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7088 -0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7088 0.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2092 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2083 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7079 -0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7079 0.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2083 0.4859 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.2077 0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2993 0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8063 0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8063 1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2993 1.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2077 1.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2965 -0.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8585 -0.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4664 -1.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2203 -1.0503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9787 -1.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3708 -0.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6169 -0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3849 -0.7137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8855 -0.3369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9447 -0.7406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2098 0.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2092 -1.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3124 1.3634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2328 0.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4129 -1.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2098 -1.3639 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
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 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
8 17 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 18 1 0 0 0 0
19 17 1 0 0 0 0
18 24 1 0 0 0 0
23 25 1 0 0 0 0
22 26 1 0 0 0 0
1 27 1 0 0 0 0
3 28 1 0 0 0 0
14 29 1 0 0 0 0
13 30 1 0 0 0 0
21 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 SBV 1 34 -4.0142 2.6430
S SKP 8
ID FL7AACGL0001
KNApSAcK_ID C00002374
NAME Cyanidin 3-O-glucoside;Chrysanthemin
CAS_RN 7084-24-4
FORMULA C21H21O11
EXACTMASS 449.108386514
AVERAGEMASS 449.38484
SMILES C(C1Oc(c(c(c4)cc(c(O)c4)O)3)cc(c2[o+1]3)c(cc(O)c2)O)(O)C(O)C(O)C(O1)CO
M END
