Mol:FL7AEAGL0002
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 |
| − | -2.5240 1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5240 1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5240 0.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5240 0.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8096 -0.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8096 -0.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0951 0.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0951 0.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0951 1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0951 1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8096 1.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8096 1.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3806 -0.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3806 -0.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3338 0.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3338 0.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3338 1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3338 1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3806 1.5242 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.3806 1.5242 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1104 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1104 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8248 1.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8248 1.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5393 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5393 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5393 2.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5393 2.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8248 2.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8248 2.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1104 2.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1104 2.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1795 2.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1795 2.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1040 1.4465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1040 1.4465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8096 -0.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8096 -0.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9840 -0.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9840 -0.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4150 -2.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4150 -2.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3268 -2.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3268 -2.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8716 -1.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8716 -1.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6563 -1.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6563 -1.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9145 -1.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9145 -1.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3696 -1.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3696 -1.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3845 -2.2288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3845 -2.2288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5619 -2.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5619 -2.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0912 -2.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0912 -2.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1639 -1.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1639 -1.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6905 -1.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6905 -1.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1795 -0.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1795 -0.0917 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 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 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 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 2 32 1 0 0 0 0 | + | 2 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AEAGL0002 | + | ID FL7AEAGL0002 |
| − | KNApSAcK_ID C00014845 | + | KNApSAcK_ID C00014845 |
| − | NAME 6-Hydroxypelargonidin 3-glucoside | + | NAME 6-Hydroxypelargonidin 3-glucoside |
| − | CAS_RN 554450-51-0 | + | CAS_RN 554450-51-0 |
| − | FORMULA C21H21O11 | + | FORMULA C21H21O11 |
| − | EXACTMASS 449.108386514 | + | EXACTMASS 449.108386514 |
| − | AVERAGEMASS 449.38484 | + | AVERAGEMASS 449.38484 |
| − | SMILES C(C1Oc(c(c(c4)ccc(O)c4)2)cc(c(O)3)c(cc(O)c3O)[o+1]2)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c(c(c4)ccc(O)c4)2)cc(c(O)3)c(cc(O)c3O)[o+1]2)(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
-2.5240 1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5240 0.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8096 -0.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0951 0.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0951 1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8096 1.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3806 -0.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3338 0.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3338 1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3806 1.5242 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.1104 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8248 1.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5393 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5393 2.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8248 2.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1104 2.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1795 2.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1040 1.4465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8096 -0.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9840 -0.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4150 -2.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3268 -2.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8716 -1.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6563 -1.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9145 -1.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3696 -1.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3845 -2.2288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5619 -2.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0912 -2.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1639 -1.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6905 -1.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1795 -0.0917 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 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
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 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
23 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
24 20 1 0 0 0 0
2 32 1 0 0 0 0
S SKP 8
ID FL7AEAGL0002
KNApSAcK_ID C00014845
NAME 6-Hydroxypelargonidin 3-glucoside
CAS_RN 554450-51-0
FORMULA C21H21O11
EXACTMASS 449.108386514
AVERAGEMASS 449.38484
SMILES C(C1Oc(c(c(c4)ccc(O)c4)2)cc(c(O)3)c(cc(O)c3O)[o+1]2)(O)C(O)C(O)C(O1)CO
M END
