Mol:FL63ACNI0002
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8645 -0.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8645 -0.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8645 -0.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8645 -0.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3260 -1.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3260 -1.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7875 -0.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7875 -0.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7875 -0.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7875 -0.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3260 0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3260 0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2489 -1.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2489 -1.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2896 -0.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2896 -0.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2896 -0.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2896 -0.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2489 0.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2489 0.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7691 -0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7691 -0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3138 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3138 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8586 -0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8586 -0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8586 0.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8586 0.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3138 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3138 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7691 0.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7691 0.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7115 -1.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7115 -1.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4027 0.9122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4027 0.9122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3260 -1.8621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3260 -1.8621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3138 1.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3138 1.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4027 0.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4027 0.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3260 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3260 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8630 0.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8630 0.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8630 1.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8630 1.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3977 1.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3977 1.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3284 1.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3284 1.8621 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 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 |
| − | 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 |
| − | 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 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 8 17 1 1 0 0 0 | + | 8 17 1 1 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 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63ACNI0002 | + | ID FL63ACNI0002 |
| − | KNApSAcK_ID C00008910 | + | KNApSAcK_ID C00008910 |
| − | NAME 8-Prenylcatechin | + | NAME 8-Prenylcatechin |
| − | CAS_RN 115532-12-2 | + | CAS_RN 115532-12-2 |
| − | FORMULA C20H22O6 | + | FORMULA C20H22O6 |
| − | EXACTMASS 358.141638436 | + | EXACTMASS 358.141638436 |
| − | AVERAGEMASS 358.38508 | + | AVERAGEMASS 358.38508 |
| − | SMILES O(C(c(c3)cc(c(O)c3)O)2)c(c(CC=C(C)C)1)c(CC(O)2)c(cc1O)O | + | SMILES O(C(c(c3)cc(c(O)c3)O)2)c(c(CC=C(C)C)1)c(CC(O)2)c(cc1O)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 28 0 0 0 0 0 0 0 0999 V2000
-1.8645 -0.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8645 -0.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 -1.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7875 -0.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7875 -0.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2489 -1.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2896 -0.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2896 -0.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2489 0.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7691 -0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8586 -0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8586 0.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7691 0.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7115 -1.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4027 0.9122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 -1.8621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 1.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4027 0.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8630 0.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8630 1.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3977 1.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3284 1.8621 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 2 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 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
8 17 1 1 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
1 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FL63ACNI0002
KNApSAcK_ID C00008910
NAME 8-Prenylcatechin
CAS_RN 115532-12-2
FORMULA C20H22O6
EXACTMASS 358.141638436
AVERAGEMASS 358.38508
SMILES O(C(c(c3)cc(c(O)c3)O)2)c(c(CC=C(C)C)1)c(CC(O)2)c(cc1O)O
M END
