Mol:FLNB2CNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 24 0 0 0 0 0 0 0 0999 V2000 | + | 21 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1576 1.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1576 1.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6013 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6013 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0452 1.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0452 1.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0452 0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0452 0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5315 0.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5315 0.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1576 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1576 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6013 0.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6013 0.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7137 1.8920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7137 1.8920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1083 0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1083 0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1083 1.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1083 1.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5315 1.9040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5315 1.9040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6700 -0.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6700 -0.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3323 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3323 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6032 0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6032 0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2785 -0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2785 -0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5494 -1.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5494 -1.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2117 -1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2117 -1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6032 -0.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6032 -0.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7137 1.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7137 1.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1582 -1.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1582 -1.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4824 -1.9040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4824 -1.9040 0.0000 O 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 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 4 1 0 0 0 0 | + | 7 4 1 0 0 0 0 |
| − | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 3 1 0 0 0 0 | + | 11 3 1 0 0 0 0 |
| − | 5 12 1 0 0 0 0 | + | 5 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 12 15 1 0 0 0 0 | + | 12 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 9 19 1 0 0 0 0 | + | 9 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNB2CNS0001 | + | ID FLNB2CNS0001 |
| − | KNApSAcK_ID C00010268 | + | KNApSAcK_ID C00010268 |
| − | NAME Brazilin | + | NAME Brazilin |
| − | CAS_RN 474-07-7 | + | CAS_RN 474-07-7 |
| − | FORMULA C16H14O5 | + | FORMULA C16H14O5 |
| − | EXACTMASS 286.084123558 | + | EXACTMASS 286.084123558 |
| − | AVERAGEMASS 286.27936 | + | AVERAGEMASS 286.27936 |
| − | SMILES Oc(c4)cc(O3)c(c4)C(c21)C(O)(C3)Cc(cc(O)c(O)c2)1 | + | SMILES Oc(c4)cc(O3)c(c4)C(c21)C(O)(C3)Cc(cc(O)c(O)c2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 24 0 0 0 0 0 0 0 0999 V2000
-1.1576 1.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6013 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0452 1.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0452 0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5315 0.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1576 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6013 0.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7137 1.8920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1083 0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1083 1.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5315 1.9040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6700 -0.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3323 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6032 0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2785 -0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5494 -1.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2117 -1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6032 -0.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7137 1.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1582 -1.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4824 -1.9040 0.0000 O 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 2 0 0 0 0
4 5 1 0 0 0 0
1 6 1 0 0 0 0
6 7 2 0 0 0 0
7 4 1 0 0 0 0
1 8 1 0 0 0 0
5 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 3 1 0 0 0 0
5 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 9 1 0 0 0 0
12 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 19 1 0 0 0 0
16 20 1 0 0 0 0
17 21 1 0 0 0 0
S SKP 8
ID FLNB2CNS0001
KNApSAcK_ID C00010268
NAME Brazilin
CAS_RN 474-07-7
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES Oc(c4)cc(O3)c(c4)C(c21)C(O)(C3)Cc(cc(O)c(O)c2)1
M END
