Mol:FLNB3CNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 26 0 0 0 0 0 0 0 0999 V2000 | + | 23 26 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.1410 -0.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1410 -0.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1410 -0.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1410 -0.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6603 -1.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6603 -1.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1795 -0.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1795 -0.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1795 -0.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1795 -0.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6603 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6603 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6987 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6987 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6987 0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6987 0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1795 1.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1795 1.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6603 0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6603 0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4292 0.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4292 0.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7816 -0.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7816 -0.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4292 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4292 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6730 0.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6730 0.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2693 0.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2693 0.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6217 0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6217 0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3778 -0.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3778 -0.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5131 1.2406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5131 1.2406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2179 0.2706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2179 0.2706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2179 1.0964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2179 1.0964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0006 0.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0006 0.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1410 -1.2406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1410 -1.2406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2179 -0.1027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2179 -0.1027 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 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 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 1 11 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 13 2 1 0 0 0 0 |
| − | 11 14 1 0 0 0 0 | + | 11 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 1 21 1 1 0 0 0 | + | 1 21 1 1 0 0 0 |
| − | 2 22 1 1 0 0 0 | + | 2 22 1 1 0 0 0 |
| − | 7 23 1 0 0 0 0 | + | 7 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNB3CNS0001 | + | ID FLNB3CNS0001 |
| − | KNApSAcK_ID C00002993 | + | KNApSAcK_ID C00002993 |
| − | NAME Haematoxylin | + | NAME Haematoxylin |
| − | CAS_RN 517-28-2 | + | CAS_RN 517-28-2 |
| − | FORMULA C16H14O6 | + | FORMULA C16H14O6 |
| − | EXACTMASS 302.07903818 | + | EXACTMASS 302.07903818 |
| − | AVERAGEMASS 302.27876000000003 | + | AVERAGEMASS 302.27876000000003 |
| − | SMILES Oc(c4)c(O)cc(c41)C([H])(c32)C(O)(COc(c(O)c(O)cc3)2)C1 | + | SMILES Oc(c4)c(O)cc(c41)C([H])(c32)C(O)(COc(c(O)c(O)cc3)2)C1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
0.1410 -0.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1410 -0.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6603 -1.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1795 -0.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1795 -0.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6603 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6987 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6987 0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1795 1.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6603 0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4292 0.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7816 -0.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4292 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6730 0.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2693 0.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6217 0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3778 -0.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5131 1.2406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2179 0.2706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2179 1.0964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0006 0.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1410 -1.2406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2179 -0.1027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 2 0 0 0 0
6 1 1 0 0 0 0
5 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 6 1 0 0 0 0
1 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 2 1 0 0 0 0
11 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
15 18 1 0 0 0 0
16 19 1 0 0 0 0
8 20 1 0 0 0 0
1 21 1 1 0 0 0
2 22 1 1 0 0 0
7 23 1 0 0 0 0
S SKP 8
ID FLNB3CNS0001
KNApSAcK_ID C00002993
NAME Haematoxylin
CAS_RN 517-28-2
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES Oc(c4)c(O)cc(c41)C([H])(c32)C(O)(COc(c(O)c(O)cc3)2)C1
M END
