Mol:FL2FA8NP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0784 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0784 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0784 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0784 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5221 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5221 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0342 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0342 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0342 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0342 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5221 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5221 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5905 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5905 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1468 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1468 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1468 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1468 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5905 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5905 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7029 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7029 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2699 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2699 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8368 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8368 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8368 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8368 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2699 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2699 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7029 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7029 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5905 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5905 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5221 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5221 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5221 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5221 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6345 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6345 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1361 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1361 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1910 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1910 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1910 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1910 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6347 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6347 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4888 0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4888 0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8368 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8368 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0782 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0782 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0782 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0782 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5221 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5221 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6343 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6343 1.9266 0.0000 C 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 |
| − | 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 0 0 0 0 | + | 9 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 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 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 2 1 0 0 0 0 | + | 24 2 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 19 27 1 0 0 0 0 | + | 19 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA8NP0001 | + | ID FL2FA8NP0001 |
| − | KNApSAcK_ID C00008261 | + | KNApSAcK_ID C00008261 |
| − | NAME Minimiflorin | + | NAME Minimiflorin |
| − | CAS_RN 98621-33-1 | + | CAS_RN 98621-33-1 |
| − | FORMULA C25H26O5 | + | FORMULA C25H26O5 |
| − | EXACTMASS 406.178023942 | + | EXACTMASS 406.178023942 |
| − | AVERAGEMASS 406.47094 | + | AVERAGEMASS 406.47094 |
| − | SMILES C(=O)(c31)CC(c(c4O)cccc4)Oc1c(CC=C(C)C)c(O2)c(c3O)C=CC2(C)C | + | SMILES C(=O)(c31)CC(c(c4O)cccc4)Oc1c(CC=C(C)C)c(O2)c(c3O)C=CC2(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.0784 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0784 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5221 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0342 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0342 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5221 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5905 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1468 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1468 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5905 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7029 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2699 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8368 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8368 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2699 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7029 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5905 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5221 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5221 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6345 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1361 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1910 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1910 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6347 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4888 0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8368 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0782 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0782 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5221 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6343 1.9266 0.0000 C 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
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
6 19 1 0 0 0 0
1 20 1 0 0 0 0
16 21 1 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 2 1 0 0 0 0
22 25 1 0 0 0 0
22 26 1 0 0 0 0
19 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL2FA8NP0001
KNApSAcK_ID C00008261
NAME Minimiflorin
CAS_RN 98621-33-1
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES C(=O)(c31)CC(c(c4O)cccc4)Oc1c(CC=C(C)C)c(O2)c(c3O)C=CC2(C)C
M END
