Mol:FL2FADNI0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 39 0 0 0 0 0 0 0 0999 V2000 | + | 37 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9779 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9779 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9779 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9779 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4216 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4216 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8653 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8653 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8653 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8653 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4216 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4216 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3090 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3090 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2473 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2473 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2473 -0.3209 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.2473 -0.3209 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.3090 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3090 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8034 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8034 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3704 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3704 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9374 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9374 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9374 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9374 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3704 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3704 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8034 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8034 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3090 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3090 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4216 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4216 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5340 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5340 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8034 1.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8034 1.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5340 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5340 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0901 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0901 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6450 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6450 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1999 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1999 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6450 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6450 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4216 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4216 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9777 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9777 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9777 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9777 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5338 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5338 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4216 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4216 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5042 -0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5042 -0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0698 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0698 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6354 -0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6354 -0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1999 -0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1999 -0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6354 -0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6354 -0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6538 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6538 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0951 2.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0951 2.4556 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 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 |
| − | 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 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 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 |
| − | 6 26 1 0 0 0 0 | + | 6 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 |
| − | 13 31 1 0 0 0 0 | + | 13 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 15 36 1 0 0 0 0 | + | 15 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 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 36 37 | + | M SAL 1 2 36 37 |
| − | M SBL 1 1 38 | + | M SBL 1 1 38 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 38 1.6538 1.5583 | + | M SVB 1 38 1.6538 1.5583 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FADNI0002 | + | ID FL2FADNI0002 |
| − | KNApSAcK_ID C00008324 | + | KNApSAcK_ID C00008324 |
| − | NAME Amoritin | + | NAME Amoritin |
| − | CAS_RN 83474-68-4 | + | CAS_RN 83474-68-4 |
| − | FORMULA C31H38O6 | + | FORMULA C31H38O6 |
| − | EXACTMASS 506.266838948 | + | EXACTMASS 506.266838948 |
| − | AVERAGEMASS 506.62982 | + | AVERAGEMASS 506.62982 |
| − | SMILES CC(C)=CCc(c3O)c(O1)c(c(c(CC=C(C)C)3)O)C(CC1c(c2)cc(c(c(CC=C(C)C)2)O)OC)=O | + | SMILES CC(C)=CCc(c3O)c(O1)c(c(c(CC=C(C)C)3)O)C(CC1c(c2)cc(c(c(CC=C(C)C)2)O)OC)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 39 0 0 0 0 0 0 0 0999 V2000
-1.9779 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9779 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4216 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8653 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8653 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4216 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3090 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2473 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2473 -0.3209 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.3090 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8034 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3704 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9374 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9374 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3704 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8034 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3090 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4216 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5340 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8034 1.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5340 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0901 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6450 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1999 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6450 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4216 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9777 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9777 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5338 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4216 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5042 -0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0698 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6354 -0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1999 -0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6354 -0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6538 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0951 2.4556 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 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
2 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
6 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
13 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
15 36 1 0 0 0 0
36 37 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 36 37
M SBL 1 1 38
M SMT 1 OCH3
M SVB 1 38 1.6538 1.5583
S SKP 8
ID FL2FADNI0002
KNApSAcK_ID C00008324
NAME Amoritin
CAS_RN 83474-68-4
FORMULA C31H38O6
EXACTMASS 506.266838948
AVERAGEMASS 506.62982
SMILES CC(C)=CCc(c3O)c(O1)c(c(c(CC=C(C)C)3)O)C(CC1c(c2)cc(c(c(CC=C(C)C)2)O)OC)=O
M END
