Mol:FL2FAANI0013
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0590 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0590 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5381 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5381 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0172 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0172 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0172 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0172 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5381 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5381 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0590 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0590 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5037 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5037 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0245 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0245 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0245 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0245 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5037 -0.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5037 -0.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5449 -0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5449 -0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5037 -1.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5037 -1.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0793 -0.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0793 -0.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6136 -0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6136 -0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6136 0.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6136 0.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0793 0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0793 0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5449 0.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5449 0.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5381 -1.9044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5381 -1.9044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5794 -0.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5794 -0.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5794 -1.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5794 -1.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5381 0.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5381 0.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1381 0.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1381 0.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0585 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0585 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.5788 1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5788 1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.1381 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1381 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.0585 2.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0585 2.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5150 0.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5150 0.9780 0.0000 O 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 20 27 1 0 0 0 0 | + | 20 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 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANI0013 | + | ID FL2FAANI0013 |
| − | KNApSAcK_ID C00008424 | + | KNApSAcK_ID C00008424 |
| − | NAME Lonchocarpol B | + | NAME Lonchocarpol B |
| − | CAS_RN 111545-12-1 | + | CAS_RN 111545-12-1 |
| − | FORMULA C25H30O7 | + | FORMULA C25H30O7 |
| − | EXACTMASS 442.199153314 | + | EXACTMASS 442.199153314 |
| − | AVERAGEMASS 442.50149999999996 | + | AVERAGEMASS 442.50149999999996 |
| − | SMILES O=C(c32)CC(Oc2c(CC(O)C(C)(C)O)c(O)c(c3O)CC=C(C)C)c(c1)ccc(c1)O | + | SMILES O=C(c32)CC(Oc2c(CC(O)C(C)(C)O)c(O)c(c3O)CC=C(C)C)c(c1)ccc(c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-1.0590 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5381 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0172 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0172 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5381 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0590 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5037 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0245 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0245 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5037 -0.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5449 -0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5037 -1.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0793 -0.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6136 -0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6136 0.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0793 0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5449 0.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5381 -1.9044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5794 -0.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5794 -1.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5381 0.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1381 0.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0585 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0585 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5788 1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5381 1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0997 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6189 -1.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1381 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6189 -2.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0585 2.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5150 0.9780 0.0000 O 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
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
2 18 1 0 0 0 0
6 19 1 0 0 0 0
1 20 1 0 0 0 0
5 21 1 0 0 0 0
15 22 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
20 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
24 31 1 0 0 0 0
23 32 1 0 0 0 0
S SKP 8
ID FL2FAANI0013
KNApSAcK_ID C00008424
NAME Lonchocarpol B
CAS_RN 111545-12-1
FORMULA C25H30O7
EXACTMASS 442.199153314
AVERAGEMASS 442.50149999999996
SMILES O=C(c32)CC(Oc2c(CC(O)C(C)(C)O)c(O)c(c3O)CC=C(C)C)c(c1)ccc(c1)O
M END
