Mol:FL3FAANI0002
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8196 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8196 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8196 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8196 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2633 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2633 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7070 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7070 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7070 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7070 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2633 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2633 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1507 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1507 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5944 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5944 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5944 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5944 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1507 -0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1507 -0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1507 -2.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1507 -2.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0383 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0383 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5287 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5287 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0957 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0957 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0957 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0957 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5287 0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5287 0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0383 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0383 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3757 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3757 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6092 0.3810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6092 0.3810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7109 -0.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7109 -0.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2670 -0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2670 -0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8219 -0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8219 -0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3757 -0.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3757 -0.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8219 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8219 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2633 -2.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2633 -2.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5287 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5287 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0955 1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0955 1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0955 2.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0955 2.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5299 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5299 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6612 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6612 2.4351 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 16 26 1 0 0 0 0 | + | 16 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 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 |
| − | 20 14 1 0 0 0 0 | + | 20 14 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAANI0002 | + | ID FL3FAANI0002 |
| − | KNApSAcK_ID C00004019 | + | KNApSAcK_ID C00004019 |
| − | NAME Honyucitrin | + | NAME Honyucitrin |
| − | CAS_RN 114542-44-8 | + | CAS_RN 114542-44-8 |
| − | FORMULA C25H26O5 | + | FORMULA C25H26O5 |
| − | EXACTMASS 406.178023942 | + | EXACTMASS 406.178023942 |
| − | AVERAGEMASS 406.47094 | + | AVERAGEMASS 406.47094 |
| − | SMILES C(C(=O)1)=C(c(c3)cc(c(O)c(CC=C(C)C)3)CC=C(C)C)Oc(c2)c1c(cc(O)2)O | + | SMILES C(C(=O)1)=C(c(c3)cc(c(O)c(CC=C(C)C)3)CC=C(C)C)Oc(c2)c1c(cc(O)2)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-2.8196 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8196 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2633 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7070 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7070 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2633 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1507 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5944 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5944 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1507 -0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1507 -2.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0383 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5287 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0957 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0957 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5287 0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0383 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3757 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6092 0.3810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7109 -0.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2670 -0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8219 -0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3757 -0.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8219 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2633 -2.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5287 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0955 1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0955 2.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5299 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6612 2.4351 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 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
1 18 1 0 0 0 0
19 15 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
3 25 1 0 0 0 0
16 26 1 0 0 0 0
26 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
20 14 1 0 0 0 0
S SKP 8
ID FL3FAANI0002
KNApSAcK_ID C00004019
NAME Honyucitrin
CAS_RN 114542-44-8
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES C(C(=O)1)=C(c(c3)cc(c(O)c(CC=C(C)C)3)CC=C(C)C)Oc(c2)c1c(cc(O)2)O
M END
