Mol:FL63PTNM0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1916 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1916 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1916 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1916 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6353 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6353 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0790 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0790 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0790 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0790 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6353 0.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6353 0.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4773 -1.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4773 -1.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0336 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0336 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0336 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0336 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4773 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4773 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7479 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7479 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3042 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3042 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3042 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3042 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7479 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7479 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8605 0.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8605 0.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5899 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5899 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5899 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5899 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0336 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0336 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4773 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4773 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1460 -0.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1460 -0.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3796 -1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3796 -1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7003 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7003 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0336 1.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0336 1.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7479 -1.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7479 -1.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1460 1.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1460 1.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8605 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8605 0.7115 0.0000 C 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 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 4 7 1 1 0 0 0 | + | 4 7 1 1 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 5 10 1 6 0 0 0 | + | 5 10 1 6 0 0 0 |
| − | 11 1 1 0 0 0 0 | + | 11 1 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 2 1 0 0 0 0 | + | 14 2 1 0 0 0 0 |
| − | 12 15 1 0 0 0 0 | + | 12 15 1 0 0 0 0 |
| − | 9 16 1 0 0 0 0 | + | 9 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 10 1 0 0 0 0 | + | 19 10 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 17 25 1 0 0 0 0 | + | 17 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 28 -6.4270 2.8623 | + | M SBV 1 28 -6.4270 2.8623 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63PTNM0002 | + | ID FL63PTNM0002 |
| − | KNApSAcK_ID C00009046 | + | KNApSAcK_ID C00009046 |
| − | NAME Elaeocyanidin | + | NAME Elaeocyanidin |
| − | CAS_RN 99257-51-9 | + | CAS_RN 99257-51-9 |
| − | FORMULA C19H20O7 | + | FORMULA C19H20O7 |
| − | EXACTMASS 360.120902994 | + | EXACTMASS 360.120902994 |
| − | AVERAGEMASS 360.3579 | + | AVERAGEMASS 360.3579 |
| − | SMILES c(c1)(c(c(c(C2(C)C)c1C(O4)C(Cc(c43)c(O)cc(O)c3)O2)O)OC)O | + | SMILES c(c1)(c(c(c(C2(C)C)c1C(O4)C(Cc(c43)c(O)cc(O)c3)O2)O)OC)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.1916 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1916 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6353 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0790 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0790 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6353 0.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4773 -1.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0336 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0336 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4773 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7479 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3042 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3042 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7479 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8605 0.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5899 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5899 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0336 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4773 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1460 -0.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3796 -1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7003 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0336 1.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7479 -1.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1460 1.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8605 0.7115 0.0000 C 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 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
4 7 1 1 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
5 10 1 6 0 0 0
11 1 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 2 1 0 0 0 0
12 15 1 0 0 0 0
9 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 10 1 0 0 0 0
16 20 1 0 0 0 0
8 21 1 0 0 0 0
8 22 1 0 0 0 0
18 23 1 0 0 0 0
14 24 1 0 0 0 0
17 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 28
M SMT 1 OCH3
M SBV 1 28 -6.4270 2.8623
S SKP 8
ID FL63PTNM0002
KNApSAcK_ID C00009046
NAME Elaeocyanidin
CAS_RN 99257-51-9
FORMULA C19H20O7
EXACTMASS 360.120902994
AVERAGEMASS 360.3579
SMILES c(c1)(c(c(c(C2(C)C)c1C(O4)C(Cc(c43)c(O)cc(O)c3)O2)O)OC)O
M END
