Mol:FL2FALGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8093 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8093 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8093 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8093 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2530 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2530 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3033 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3033 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3033 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3033 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2530 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2530 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8596 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8596 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4159 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4159 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4159 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.4159 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.8596 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8596 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9720 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9720 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5390 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5390 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1059 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1059 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1059 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1059 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5390 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5390 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9720 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9720 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8596 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8596 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6727 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6727 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3654 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3654 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2530 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2530 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2856 0.2127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.2856 0.2127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.9394 -0.2444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.9394 -0.2444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.4408 -0.0505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.4408 -0.0505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.9211 -0.0562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.9211 -0.0562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.3093 0.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3093 0.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8186 0.1215 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.8186 0.1215 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.7308 0.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7308 0.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2662 -0.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2662 -0.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1551 -0.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1551 -0.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4052 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4052 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0882 0.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0882 0.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0740 1.0163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0740 1.0163 0.0000 O 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 34 -3.0882 0.8486 | + | M SVB 1 34 -3.0882 0.8486 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALGS0001 | + | ID FL2FALGS0001 |
| − | KNApSAcK_ID C00008368 | + | KNApSAcK_ID C00008368 |
| − | NAME Stepposide | + | NAME Stepposide |
| − | CAS_RN 20194-60-9 | + | CAS_RN 20194-60-9 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | SMILES c(c(C(C4)Oc(c3C(=O)4)cc(cc(O)3)O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)1)cc(O)cc1O | + | SMILES c(c(C(C4)Oc(c3C(=O)4)cc(cc(O)3)O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)1)cc(O)cc1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.8093 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8093 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2530 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3033 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3033 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2530 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8596 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4159 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4159 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.8596 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9720 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5390 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1059 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1059 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5390 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9720 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8596 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6727 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3654 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2530 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2856 0.2127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.9394 -0.2444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4408 -0.0505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9211 -0.0562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3093 0.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8186 0.1215 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.7308 0.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2662 -0.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1551 -0.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4052 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0882 0.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0740 1.0163 0.0000 O 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
14 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 19 1 0 0 0 0
16 30 1 0 0 0 0
26 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 CH2OH
M SVB 1 34 -3.0882 0.8486
S SKP 8
ID FL2FALGS0001
KNApSAcK_ID C00008368
NAME Stepposide
CAS_RN 20194-60-9
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES c(c(C(C4)Oc(c3C(=O)4)cc(cc(O)3)O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)1)cc(O)cc1O
M END
