Mol:FL1DRTNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 21 0 0 0 0 0 0 0 0999 V2000 | + | 20 21 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1885 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1885 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1885 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1885 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6345 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6345 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0805 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0805 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0805 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0805 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6345 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6345 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5268 -0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5268 -0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0257 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0257 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5771 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5771 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1272 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1272 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6656 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6656 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2040 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2040 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2040 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2040 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6656 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6656 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1272 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1272 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5268 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5268 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7422 0.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7422 0.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7422 0.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7422 0.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2202 -0.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2202 -0.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9347 -0.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9347 -0.8810 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 11 19 1 0 0 0 0 | + | 11 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 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 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 20 -6.9404 3.2678 | + | M SBV 1 20 -6.9404 3.2678 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DRTNS0001 | + | ID FL1DRTNS0001 |
| − | KNApSAcK_ID C00007923 | + | KNApSAcK_ID C00007923 |
| − | NAME Loureirin C | + | NAME Loureirin C |
| − | CAS_RN 116384-24-8 | + | CAS_RN 116384-24-8 |
| − | FORMULA C16H16O4 | + | FORMULA C16H16O4 |
| − | EXACTMASS 272.104859 | + | EXACTMASS 272.104859 |
| − | AVERAGEMASS 272.29584 | + | AVERAGEMASS 272.29584 |
| − | SMILES COc(c2)c(ccc(O)2)CCC(=O)c(c1)ccc(O)c1 | + | SMILES COc(c2)c(ccc(O)2)CCC(=O)c(c1)ccc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 21 0 0 0 0 0 0 0 0999 V2000
-2.1885 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1885 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6345 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0805 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0805 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6345 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5268 -0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0257 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5771 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1272 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6656 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2040 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2040 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6656 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1272 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5268 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7422 0.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7422 0.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2202 -0.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9347 -0.8810 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 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
1 17 1 0 0 0 0
13 18 1 0 0 0 0
11 19 1 0 0 0 0
19 20 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 20
M SMT 1 OCH3
M SBV 1 20 -6.9404 3.2678
S SKP 8
ID FL1DRTNS0001
KNApSAcK_ID C00007923
NAME Loureirin C
CAS_RN 116384-24-8
FORMULA C16H16O4
EXACTMASS 272.104859
AVERAGEMASS 272.29584
SMILES COc(c2)c(ccc(O)2)CCC(=O)c(c1)ccc(O)c1
M END
