Mol:FLIAALNP0005
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8074 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8074 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8074 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8074 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2511 -0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2511 -0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6948 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6948 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6948 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6948 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2511 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2511 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1385 -0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1385 -0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4178 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4178 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4178 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4178 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1385 0.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1385 0.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9739 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9739 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9739 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9739 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5687 -1.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5687 -1.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1635 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1635 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1635 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1635 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5687 0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5687 0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1385 -0.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1385 -0.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2511 -0.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2511 -0.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3635 0.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3635 0.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3637 -0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3637 -0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9200 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9200 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9200 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9200 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9200 1.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9200 1.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4721 0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4721 0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7577 -1.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7577 -1.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2594 -0.9449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2594 -0.9449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9739 -1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9739 -1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7577 0.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7577 0.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4721 -0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4721 -0.3970 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 |
| − | 8 11 1 0 0 0 0 | + | 8 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 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 20 2 0 0 0 0 | + | 22 20 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 12 26 1 0 0 0 0 | + | 12 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 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 29 | + | M SBL 1 1 29 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 29 -6.7665 4.7684 | + | M SBV 1 29 -6.7665 4.7684 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 28 29 | + | M SAL 2 2 28 29 |
| − | M SBL 2 1 31 | + | M SBL 2 1 31 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 31 -5.4578 5.0421 | + | M SBV 2 31 -5.4578 5.0421 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNP0005 | + | ID FLIAALNP0005 |
| − | KNApSAcK_ID C00009512 | + | KNApSAcK_ID C00009512 |
| − | NAME Elongatin | + | NAME Elongatin |
| − | CAS_RN 58084-80-3 | + | CAS_RN 58084-80-3 |
| − | FORMULA C22H20O7 | + | FORMULA C22H20O7 |
| − | EXACTMASS 396.120902994 | + | EXACTMASS 396.120902994 |
| − | AVERAGEMASS 396.39 | + | AVERAGEMASS 396.39 |
| − | SMILES c(c3O)(c(cc(O4)c(C=CC4(C)C)3)1)C(=O)C(c(c2)c(cc(c2OC)O)OC)=CO1 | + | SMILES c(c3O)(c(cc(O4)c(C=CC4(C)C)3)1)C(=O)C(c(c2)c(cc(c2OC)O)OC)=CO1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-1.8074 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8074 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2511 -0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6948 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6948 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2511 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1385 -0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4178 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4178 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1385 0.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9739 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9739 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5687 -1.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1635 -1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1635 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5687 0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1385 -0.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2511 -0.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3635 0.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3637 -0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9200 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9200 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9200 1.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4721 0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7577 -1.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2594 -0.9449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9739 -1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7577 0.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4721 -0.3970 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
8 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
1 19 1 0 0 0 0
20 2 1 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
22 20 2 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
14 25 1 0 0 0 0
12 26 1 0 0 0 0
26 27 1 0 0 0 0
15 28 1 0 0 0 0
28 29 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 29
M SMT 1 ^OCH3
M SBV 1 29 -6.7665 4.7684
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 31
M SMT 2 OCH3
M SBV 2 31 -5.4578 5.0421
S SKP 8
ID FLIAALNP0005
KNApSAcK_ID C00009512
NAME Elongatin
CAS_RN 58084-80-3
FORMULA C22H20O7
EXACTMASS 396.120902994
AVERAGEMASS 396.39
SMILES c(c3O)(c(cc(O4)c(C=CC4(C)C)3)1)C(=O)C(c(c2)c(cc(c2OC)O)OC)=CO1
M END
