Mol:LBF20308PG03
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 24 0 0 0 0 0 0 0 0999 V2000 | + | 24 24 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.3090 -0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3090 -0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8090 -1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8090 -1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6180 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6180 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3090 -0.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.3090 -0.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.8968 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8968 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5691 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5691 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7770 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7770 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7281 -2.9425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.7281 -2.9425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.9360 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9360 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8870 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8870 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0949 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0949 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0460 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0460 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.2539 -6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2539 -6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4901 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4901 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0779 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0779 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6711 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6711 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2589 3.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2589 3.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8522 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8522 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4399 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4399 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4712 -2.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4712 -2.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8090 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8090 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4345 5.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4345 5.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0332 6.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0332 6.4950 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 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
| − | 5 6 1 6 0 0 0 | + | 5 6 1 6 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 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 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 |
| − | 9 21 1 6 0 0 0 | + | 9 21 1 6 0 0 0 |
| − | 6 15 1 0 0 0 0 | + | 6 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 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 3 22 2 0 0 0 0 | + | 3 22 2 0 0 0 0 |
| − | 4 7 2 0 0 0 0 | + | 4 7 2 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 20 24 2 0 0 0 0 | + | 20 24 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF20308PG03 | + | ID LBF20308PG03 |
| − | FORMULA C20H30O4 | + | FORMULA C20H30O4 |
| − | EXACTMASS 334.21440944799997 | + | EXACTMASS 334.21440944799997 |
| − | AVERAGEMASS 334.4498 | + | AVERAGEMASS 334.4498 |
| − | SMILES C(CC[C@@H](O)CC=C(C(=O)1)[C@@H](CC=CCCCC(O)=O)C=C1)CC | + | SMILES C(CC[C@@H](O)CC=C(C(=O)1)[C@@H](CC=CCCCC(O)=O)C=C1)CC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 24 0 0 0 0 0 0 0 0999 V2000
2.3090 -0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 -1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3090 -0.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8968 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7770 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7281 -2.9425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9360 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8870 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0949 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0460 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2539 -6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4901 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0779 2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6711 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2589 3.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8522 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4399 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4712 -2.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4345 5.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0332 6.4950 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 1 0 0 0 0
4 5 1 0 0 0 0
5 1 1 0 0 0 0
5 6 1 6 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 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
9 21 1 6 0 0 0
6 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
3 22 2 0 0 0 0
4 7 2 0 0 0 0
20 23 1 0 0 0 0
20 24 2 0 0 0 0
S SKP 5
ID LBF20308PG03
FORMULA C20H30O4
EXACTMASS 334.21440944799997
AVERAGEMASS 334.4498
SMILES C(CC[C@@H](O)CC=C(C(=O)1)[C@@H](CC=CCCCC(O)=O)C=C1)CC
M END
