Mol:FL7AAAGO0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.0156 -0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0156 -0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6260 -0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6260 -0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6260 0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6260 0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0156 0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0156 0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5949 0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5949 0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5949 -0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5949 -0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2365 -0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2365 -0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8469 -0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8469 -0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8469 0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8469 0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2365 0.4553 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | 1.2365 0.4553 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4284 0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4284 0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0120 0.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0120 0.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5956 0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5956 0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5956 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5956 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0120 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0120 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4284 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4284 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0773 1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0773 1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0942 0.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0942 0.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0156 -1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0156 -1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4182 -0.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4182 -0.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7360 -0.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7360 -0.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0615 -0.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0615 -0.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4251 -0.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4251 -0.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6099 0.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6099 0.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2843 0.5399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2843 0.5399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9209 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9209 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2578 0.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2578 0.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7089 0.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7089 0.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0773 -0.5969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0773 -0.5969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6782 -0.5318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6782 -0.5318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0311 -0.3402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0311 -0.3402 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 3 1 0 0 0 0 | + | 10 3 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAAGS0006 | + | ID FL7AAAGS0006 |
| − | KNApSAcK_ID C00011341 | + | KNApSAcK_ID C00011341 |
| − | NAME Pelargonidin 7-glucoside | + | NAME Pelargonidin 7-glucoside |
| − | CAS_RN 125107-92-8 | + | CAS_RN 125107-92-8 |
| − | FORMULA C21H21O10 | + | FORMULA C21H21O10 |
| − | EXACTMASS 433.113471892 | + | EXACTMASS 433.113471892 |
| − | AVERAGEMASS 433.38544 | + | AVERAGEMASS 433.38544 |
| − | SMILES Oc(c1)ccc(c([o+1]4)c(O)cc(c24)c(cc(OC(O3)C(O)C(O)C(O)C3CO)c2)O)c1 | + | SMILES Oc(c1)ccc(c([o+1]4)c(O)cc(c24)c(cc(OC(O3)C(O)C(O)C(O)C3CO)c2)O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
0.0156 -0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6260 -0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6260 0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0156 0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5949 0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5949 -0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2365 -0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8469 -0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8469 0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2365 0.4553 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.4284 0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0120 0.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5956 0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5956 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0120 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4284 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0773 1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0942 0.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0156 -1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4182 -0.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7360 -0.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0615 -0.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4251 -0.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6099 0.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2843 0.5399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9209 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2578 0.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7089 0.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0773 -0.5969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6782 -0.5318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0311 -0.3402 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
2 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 3 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
14 17 1 0 0 0 0
5 18 1 0 0 0 0
1 19 1 0 0 0 0
8 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
18 24 1 0 0 0 0
S SKP 8
ID FL7AAAGS0006
KNApSAcK_ID C00011341
NAME Pelargonidin 7-glucoside
CAS_RN 125107-92-8
FORMULA C21H21O10
EXACTMASS 433.113471892
AVERAGEMASS 433.38544
SMILES Oc(c1)ccc(c([o+1]4)c(O)cc(c24)c(cc(OC(O3)C(O)C(O)C(O)C3CO)c2)O)c1
M END
