Mol:FLID1ANS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 25 0 0 0 0 0 0 0 0999 V2000 | + | 22 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7144 1.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7144 1.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7144 0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7144 0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2140 0.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2140 0.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7135 0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7135 0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7135 1.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7135 1.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2140 1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2140 1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2131 0.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2131 0.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2873 0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2873 0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2873 1.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2873 1.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2131 1.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2131 1.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1556 1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1556 1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0930 -0.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0930 -0.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4817 -0.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4817 -0.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7168 0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7168 0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8214 -0.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8214 -0.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3961 -0.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3961 -0.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6312 -0.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6312 -0.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2915 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2915 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9816 1.0478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9816 1.0478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0094 -0.1017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0094 -0.1017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4411 -1.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4411 -1.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1556 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1556 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 7 12 1 0 0 0 0 | + | 7 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 8 1 0 0 0 0 | + | 14 8 1 0 0 0 0 |
| − | 13 15 1 0 0 0 0 | + | 13 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 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
| − | 8 19 1 6 0 0 0 | + | 8 19 1 6 0 0 0 |
| − | 7 20 1 6 0 0 0 | + | 7 20 1 6 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 24 -7.2237 5.5213 | + | M SBV 1 24 -7.2237 5.5213 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1ANS0001 | + | ID FLID1ANS0001 |
| − | KNApSAcK_ID C00002547 | + | KNApSAcK_ID C00002547 |
| − | NAME (-)-Medicarpin | + | NAME (-)-Medicarpin |
| − | CAS_RN 32383-76-9 | + | CAS_RN 32383-76-9 |
| − | FORMULA C16H14O4 | + | FORMULA C16H14O4 |
| − | EXACTMASS 270.089208936 | + | EXACTMASS 270.089208936 |
| − | AVERAGEMASS 270.27996 | + | AVERAGEMASS 270.27996 |
| − | SMILES COc(c4)cc(O1)c(c4)C([H])(C2)C([H])1c(c3)c(cc(O)c3)O2 | + | SMILES COc(c4)cc(O1)c(c4)C([H])(C2)C([H])1c(c3)c(cc(O)c3)O2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-1.7144 1.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7144 0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2140 0.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7135 0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7135 1.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2140 1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2131 0.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2873 0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2873 1.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2131 1.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1556 1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0930 -0.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4817 -0.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7168 0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8214 -0.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3961 -0.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6312 -0.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2915 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9816 1.0478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0094 -0.1017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4411 -1.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1556 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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 5 1 0 0 0 0
1 11 1 0 0 0 0
7 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 8 1 0 0 0 0
13 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 14 1 0 0 0 0
8 19 1 6 0 0 0
7 20 1 6 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SBV 1 24 -7.2237 5.5213
S SKP 8
ID FLID1ANS0001
KNApSAcK_ID C00002547
NAME (-)-Medicarpin
CAS_RN 32383-76-9
FORMULA C16H14O4
EXACTMASS 270.089208936
AVERAGEMASS 270.27996
SMILES COc(c4)cc(O1)c(c4)C([H])(C2)C([H])1c(c3)c(cc(O)c3)O2
M END
