Mol:FL1C1ANI0023
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 30 0 0 0 0 0 0 0 0999 V2000 | + | 29 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3085 -0.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3085 -0.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6424 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6424 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6424 0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6424 0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3085 0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3085 0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9746 0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9746 0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9746 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9746 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5435 -0.5178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5435 -0.5178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0494 -0.5317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0494 -0.5317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6104 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6104 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2394 0.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2394 0.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8166 0.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8166 0.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8166 1.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8166 1.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4584 0.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4584 0.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0767 0.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0767 0.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0767 1.5878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0767 1.5878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7126 0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7126 0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3212 0.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3212 0.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9378 0.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9378 0.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9378 -0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9378 -0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5745 -0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5745 -0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2111 -0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2111 -0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2111 0.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2111 0.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5745 0.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5745 0.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7362 -0.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7362 -0.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5745 -1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5745 -1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2442 -1.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2442 -1.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8319 -1.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8319 -1.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1417 -1.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1417 -1.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4584 -0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4584 -0.9986 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 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 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 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 11 13 1 0 0 0 0 | + | 11 13 1 0 0 0 0 |
| − | 3 14 1 0 0 0 0 | + | 3 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 14 16 1 0 0 0 0 | + | 14 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANI0023 | + | ID FL1C1ANI0023 |
| − | KNApSAcK_ID C00011140 | + | KNApSAcK_ID C00011140 |
| − | NAME Stipulin | + | NAME Stipulin |
| − | CAS_RN 140614-21-7 | + | CAS_RN 140614-21-7 |
| − | FORMULA C25H28O4 | + | FORMULA C25H28O4 |
| − | EXACTMASS 392.19875938399997 | + | EXACTMASS 392.19875938399997 |
| − | AVERAGEMASS 392.48742 | + | AVERAGEMASS 392.48742 |
| − | SMILES c(O)(c(CC=C(C)C)2)cc(O)c(c2)C(=O)C=Cc(c1)cc(c(O)c1)CC=C(C)C | + | SMILES c(O)(c(CC=C(C)C)2)cc(O)c(c2)C(=O)C=Cc(c1)cc(c(O)c1)CC=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 30 0 0 0 0 0 0 0 0999 V2000
-1.3085 -0.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6424 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6424 0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3085 0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9746 0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9746 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5435 -0.5178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0494 -0.5317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6104 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2394 0.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8166 0.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8166 1.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4584 0.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0767 0.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0767 1.5878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7126 0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3212 0.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9378 0.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9378 -0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5745 -0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2111 -0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2111 0.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5745 0.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7362 -0.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5745 -1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2442 -1.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8319 -1.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1417 -1.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4584 -0.9986 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
6 7 1 0 0 0 0
2 8 1 0 0 0 0
5 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
3 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 18 1 0 0 0 0
21 24 1 0 0 0 0
20 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
S SKP 8
ID FL1C1ANI0023
KNApSAcK_ID C00011140
NAME Stipulin
CAS_RN 140614-21-7
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES c(O)(c(CC=C(C)C)2)cc(O)c(c2)C(=O)C=Cc(c1)cc(c(O)c1)CC=C(C)C
M END
