Mol:FL7AAAGO0005
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 |
| − | -1.2330 0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2330 0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2330 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2330 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6766 -0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6766 -0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1203 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1203 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1203 0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1203 0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6766 0.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6766 0.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4360 -0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4360 -0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9923 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9923 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9923 0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9923 0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4360 0.9561 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | 0.4360 0.9561 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5484 0.9560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5484 0.9560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1153 0.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1153 0.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6823 0.9560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6823 0.9560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6823 1.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6823 1.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1153 1.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1153 1.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5484 1.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5484 1.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7890 0.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7890 0.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2491 1.9379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2491 1.9379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6766 -0.9707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6766 -0.9707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4084 -0.7281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4084 -0.7281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0417 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0417 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6705 -1.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6705 -1.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1360 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1360 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5250 -1.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5250 -1.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9950 -1.0435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9950 -1.0435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4626 -1.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4626 -1.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8550 -0.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8550 -0.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2491 -1.6599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2491 -1.6599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8297 -1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8297 -1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2359 -0.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2359 -0.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5214 -1.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5214 -1.1594 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 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 |
| − | 21 27 1 0 0 0 0 | + | 21 27 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 19 1 0 0 0 0 | + | 24 19 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 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 33 -6.1996 5.9633 | + | M SBV 1 33 -6.1996 5.9633 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAAGS0005 | + | ID FL7AAAGS0005 |
| − | KNApSAcK_ID C00006790 | + | KNApSAcK_ID C00006790 |
| − | NAME Pelargonidin 5-galactoside | + | NAME Pelargonidin 5-galactoside |
| − | CAS_RN 157526-28-8 | + | CAS_RN 157526-28-8 |
| − | FORMULA C21H21O10 | + | FORMULA C21H21O10 |
| − | EXACTMASS 433.113471892 | + | EXACTMASS 433.113471892 |
| − | AVERAGEMASS 433.38544 | + | AVERAGEMASS 433.38544 |
| − | SMILES C(C1Oc(c4)c(c(cc(O)4)3)cc(c([o+1]3)c(c2)ccc(O)c2)O)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c4)c(c(cc(O)4)3)cc(c([o+1]3)c(c2)ccc(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/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.2330 0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2330 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6766 -0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1203 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1203 0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6766 0.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4360 -0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9923 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9923 0.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4360 0.9561 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.5484 0.9560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1153 0.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6823 0.9560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6823 1.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1153 1.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5484 1.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7890 0.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2491 1.9379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6766 -0.9707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4084 -0.7281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0417 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6705 -1.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1360 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5250 -1.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9950 -1.0435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4626 -1.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8550 -0.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2491 -1.6599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8297 -1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2359 -0.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5214 -1.1594 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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 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
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 19 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 CH2OH
M SBV 1 33 -6.1996 5.9633
S SKP 8
ID FL7AAAGS0005
KNApSAcK_ID C00006790
NAME Pelargonidin 5-galactoside
CAS_RN 157526-28-8
FORMULA C21H21O10
EXACTMASS 433.113471892
AVERAGEMASS 433.38544
SMILES C(C1Oc(c4)c(c(cc(O)4)3)cc(c([o+1]3)c(c2)ccc(O)c2)O)(O)C(O)C(O)C(O1)CO
M END
