Mol:FL1DRTNS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 22 0 0 0 0 0 0 0 0999 V2000 | + | 21 22 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5457 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5457 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5457 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5457 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9917 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9917 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4377 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4377 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4377 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4377 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9917 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9917 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8840 -0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8840 -0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3315 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3315 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2198 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2198 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7700 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7700 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3084 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3084 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8467 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8467 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8467 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8467 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3084 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3084 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7700 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7700 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8840 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8840 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0994 0.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0994 0.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3850 0.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3850 0.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0994 0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0994 0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8630 -0.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8630 -0.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5775 -0.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5775 -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 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 11 20 1 0 0 0 0 | + | 11 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 19 | + | M SBL 1 1 19 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 19 -6.3140 3.7339 | + | M SBV 1 19 -6.3140 3.7339 |
| − | 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 21 | + | M SBL 2 1 21 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 21 -7.2976 3.2678 | + | M SBV 2 21 -7.2976 3.2678 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DRTNS0003 | + | ID FL1DRTNS0003 |
| − | KNApSAcK_ID C00007925 | + | KNApSAcK_ID C00007925 |
| − | NAME Loureirin A | + | NAME Loureirin A |
| − | CAS_RN 119425-89-7 | + | CAS_RN 119425-89-7 |
| − | FORMULA C17H18O4 | + | FORMULA C17H18O4 |
| − | EXACTMASS 286.120509064 | + | EXACTMASS 286.120509064 |
| − | AVERAGEMASS 286.32241999999997 | + | AVERAGEMASS 286.32241999999997 |
| − | SMILES COc(c1)cc(OC)c(CCC(=O)c(c2)ccc(O)c2)c1 | + | SMILES COc(c1)cc(OC)c(CCC(=O)c(c2)ccc(O)c2)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.5457 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5457 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4377 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4377 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8840 -0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3315 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2198 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7700 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8467 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8467 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7700 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8840 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0994 0.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3850 0.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0994 0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8630 -0.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5775 -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
18 19 1 0 0 0 0
11 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 19
M SMT 1 OCH3
M SBV 1 19 -6.3140 3.7339
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 21
M SMT 2 OCH3
M SBV 2 21 -7.2976 3.2678
S SKP 8
ID FL1DRTNS0003
KNApSAcK_ID C00007925
NAME Loureirin A
CAS_RN 119425-89-7
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c1)cc(OC)c(CCC(=O)c(c2)ccc(O)c2)c1
M END
