Mol:FL3FALNI0008
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0450 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0450 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0450 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0450 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4887 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4887 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9324 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9324 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9324 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9324 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4887 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4887 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3761 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3761 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1802 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1802 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1802 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1802 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3761 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3761 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3761 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3761 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7363 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7363 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3033 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3033 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8703 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8703 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8703 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8703 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3033 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3033 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7363 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7363 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3838 1.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3838 1.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4887 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4887 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1695 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1695 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7363 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7363 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2924 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2924 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8473 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8473 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4022 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4022 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8473 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8473 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4022 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4022 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9022 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9022 1.6360 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 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 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 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 1 26 1 0 0 0 0 | + | 1 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 -2.4022 0.77 | + | M SVB 1 28 -2.4022 0.77 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNI0008 | + | ID FL3FALNI0008 |
| − | KNApSAcK_ID C00004031 | + | KNApSAcK_ID C00004031 |
| − | NAME Integrin | + | NAME Integrin |
| − | CAS_RN 60791-49-3 | + | CAS_RN 60791-49-3 |
| − | FORMULA C21H20O6 | + | FORMULA C21H20O6 |
| − | EXACTMASS 368.125988372 | + | EXACTMASS 368.125988372 |
| − | AVERAGEMASS 368.37989999999996 | + | AVERAGEMASS 368.37989999999996 |
| − | SMILES c(c(O)1)c(O)ccc1C(O3)=C(CC=C(C)C)C(=O)c(c32)c(cc(OC)c2)O | + | SMILES c(c(O)1)c(O)ccc1C(O3)=C(CC=C(C)C)C(=O)c(c32)c(cc(OC)c2)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.0450 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0450 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4887 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9324 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9324 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4887 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3761 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1802 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1802 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3761 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3761 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7363 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3033 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8703 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8703 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3033 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7363 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3838 1.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4887 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1695 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7363 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2924 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8473 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4022 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8473 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4022 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9022 1.6360 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
18 15 1 0 0 0 0
3 19 1 0 0 0 0
17 20 1 0 0 0 0
8 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
1 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -2.4022 0.77
S SKP 8
ID FL3FALNI0008
KNApSAcK_ID C00004031
NAME Integrin
CAS_RN 60791-49-3
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES c(c(O)1)c(O)ccc1C(O3)=C(CC=C(C)C)C(=O)c(c32)c(cc(OC)c2)O
M END
