Mol:FL6DACNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 0.2062 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 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 |
| − | 8 9 1 0 0 0 0 | + | 8 9 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 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 7 21 1 0 0 0 0 | + | 7 21 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6DACNS0001 | + | ID FL6DACNS0001 |
| − | KNApSAcK_ID C00007235 | + | KNApSAcK_ID C00007235 |
| − | NAME Leucocyanidin | + | NAME Leucocyanidin |
| − | CAS_RN 480-17-1 | + | CAS_RN 480-17-1 |
| − | FORMULA C15H14O7 | + | FORMULA C15H14O7 |
| − | EXACTMASS 306.073952802 | + | EXACTMASS 306.073952802 |
| − | AVERAGEMASS 306.26746 | + | AVERAGEMASS 306.26746 |
| − | SMILES Oc(c3)cc(O1)c(c(O)3)C(O)C(O)C1c(c2)cc(O)c(O)c2 | + | SMILES Oc(c3)cc(O1)c(c(O)3)C(O)C(O)C1c(c2)cc(O)c(O)c2 |
M END | M END | ||
| − | |||
Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 0.2062 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 1 0 0 0 0
10 5 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
8 9 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
9 10 1 0 0 0 0
7 21 1 0 0 0 0
8 20 1 0 0 0 0
13 22 1 0 0 0 0
9 11 1 0 0 0 0
S SKP 8
ID FL6DACNS0001
KNApSAcK_ID C00007235
NAME Leucocyanidin
CAS_RN 480-17-1
FORMULA C15H14O7
EXACTMASS 306.073952802
AVERAGEMASS 306.26746
SMILES Oc(c3)cc(O1)c(c(O)3)C(O)C(O)C1c(c2)cc(O)c(O)c2
M END
