Mol:FL2FA9NM0013
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4791 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4791 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9582 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9582 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4373 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4373 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4373 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4373 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9582 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9582 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4791 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4791 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0836 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0836 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6045 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6045 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6045 0.1385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.6045 0.1385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0836 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0836 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1248 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1248 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0836 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0836 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6592 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6592 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1935 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1935 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1935 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1935 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6592 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6592 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1248 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1248 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9582 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9582 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9582 1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9582 1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1935 -0.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1935 -0.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8216 -1.1290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8216 -1.1290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8363 0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8363 0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3362 1.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3362 1.6234 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 |
| − | 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 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 22 -2.1935 -0.3509 | + | M SVB 2 22 -2.1935 -0.3509 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -1.8363 0.7573 | + | M SVB 1 24 -1.8363 0.7573 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NM0013 | + | ID FL2FA9NM0013 |
| − | KNApSAcK_ID C00008482 | + | KNApSAcK_ID C00008482 |
| − | NAME Leridol | + | NAME Leridol |
| − | CAS_RN 143084-66-6 | + | CAS_RN 143084-66-6 |
| − | FORMULA C18H18O5 | + | FORMULA C18H18O5 |
| − | EXACTMASS 314.115423686 | + | EXACTMASS 314.115423686 |
| − | AVERAGEMASS 314.33252 | + | AVERAGEMASS 314.33252 |
| − | SMILES O(C2c(c3)cccc3)c(c1C)c(C(=O)C2)c(c(c1OC)CO)O | + | SMILES O(C2c(c3)cccc3)c(c1C)c(C(=O)C2)c(c(c1OC)CO)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.4791 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4373 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4373 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4791 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6045 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6045 0.1385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0836 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1248 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6592 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1935 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1935 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6592 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1248 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9582 1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1935 -0.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8216 -1.1290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8363 0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3362 1.6234 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
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
5 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 CH2OH
M SVB 2 22 -2.1935 -0.3509
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -1.8363 0.7573
S SKP 8
ID FL2FA9NM0013
KNApSAcK_ID C00008482
NAME Leridol
CAS_RN 143084-66-6
FORMULA C18H18O5
EXACTMASS 314.115423686
AVERAGEMASS 314.33252
SMILES O(C2c(c3)cccc3)c(c1C)c(C(=O)C2)c(c(c1OC)CO)O
M END
