Mol:FLIF1LNF0001
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 36 0 0 0 0 0 0 0 0999 V2000 | + | 32 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2539 0.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2539 0.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2539 -0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2539 -0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7881 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7881 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3223 -0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3223 -0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3223 0.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3223 0.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7881 0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7881 0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1435 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1435 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6092 -0.5032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.6092 -0.5032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 0.6092 0.0346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.6092 0.0346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 0.1435 0.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1435 0.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0750 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0750 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5408 -0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5408 -0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5408 0.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5408 0.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0750 0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0750 0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0750 -1.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0750 -1.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5408 -1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5408 -1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0066 -1.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0066 -1.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0066 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0066 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0572 -1.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0572 -1.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9288 0.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9288 0.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4718 0.8572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.4718 0.8572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.6667 0.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6667 0.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7814 1.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7814 1.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3475 2.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3475 2.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4192 1.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4192 1.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2243 0.8572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2243 0.8572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6092 0.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6092 0.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6092 -0.9356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6092 -0.9356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4192 -2.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4192 -2.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8800 -2.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8800 -2.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3700 -2.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3700 -2.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0099 -2.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0099 -2.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 |
| − | 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 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 11 15 1 0 0 0 0 | + | 11 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 12 1 0 0 0 0 | + | 18 12 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 21 23 1 1 0 0 0 | + | 21 23 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 2 0 0 0 0 | + | 23 25 2 0 0 0 0 |
| − | 21 26 1 6 0 0 0 | + | 21 26 1 6 0 0 0 |
| − | 9 27 1 1 0 0 0 | + | 9 27 1 1 0 0 0 |
| − | 8 28 1 1 0 0 0 | + | 8 28 1 1 0 0 0 |
| − | 17 29 1 0 0 0 0 | + | 17 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 35 1.0922 -1.7324 | + | M SVB 2 35 1.0922 -1.7324 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 33 2.4192 -2.1046 | + | M SVB 1 33 2.4192 -2.1046 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIF1LNF0001 | + | ID FLIF1LNF0001 |
| − | KNApSAcK_ID C00002568 | + | KNApSAcK_ID C00002568 |
| − | NAME Rotenone;Tubotoxin;Nicouline | + | NAME Rotenone;Tubotoxin;Nicouline |
| − | CAS_RN 83-79-4 | + | CAS_RN 83-79-4 |
| − | FORMULA C23H22O6 | + | FORMULA C23H22O6 |
| − | EXACTMASS 394.141638436 | + | EXACTMASS 394.141638436 |
| − | AVERAGEMASS 394.41718000000003 | + | AVERAGEMASS 394.41718000000003 |
| − | SMILES [C@]([H])(C5)(Oc(c45)ccc(c41)C([C@@](c32)([C@@](COc2cc(c(c3)OC)OC)(O1)[H])[H])=O)C(C)=C | + | SMILES [C@]([H])(C5)(Oc(c45)ccc(c41)C([C@@](c32)([C@@](COc2cc(c(c3)OC)OC)(O1)[H])[H])=O)C(C)=C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 36 0 0 0 0 0 0 0 0999 V2000
-1.2539 0.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2539 -0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7881 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3223 -0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3223 0.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7881 0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1435 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6092 -0.5032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.6092 0.0346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1435 0.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0750 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5408 -0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5408 0.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0750 0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0750 -1.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5408 -1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0066 -1.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0066 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0572 -1.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9288 0.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4718 0.8572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6667 0.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7814 1.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3475 2.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4192 1.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2243 0.8572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6092 0.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6092 -0.9356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4192 -2.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8800 -2.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3700 -2.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0099 -2.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 9 1 0 0 0 0
11 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 12 1 0 0 0 0
7 19 2 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 1 1 0 0 0 0
21 23 1 1 0 0 0
23 24 1 0 0 0 0
23 25 2 0 0 0 0
21 26 1 6 0 0 0
9 27 1 1 0 0 0
8 28 1 1 0 0 0
17 29 1 0 0 0 0
29 30 1 0 0 0 0
16 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 35
M SMT 2 OCH3
M SVB 2 35 1.0922 -1.7324
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 2.4192 -2.1046
S SKP 8
ID FLIF1LNF0001
KNApSAcK_ID C00002568
NAME Rotenone;Tubotoxin;Nicouline
CAS_RN 83-79-4
FORMULA C23H22O6
EXACTMASS 394.141638436
AVERAGEMASS 394.41718000000003
SMILES [C@]([H])(C5)(Oc(c45)ccc(c41)C([C@@](c32)([C@@](COc2cc(c(c3)OC)OC)(O1)[H])[H])=O)C(C)=C
M END
