Mol:FL1DA9NR0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2326 -1.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2326 -1.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6434 -1.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6434 -1.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0543 -1.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0543 -1.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0543 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0543 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6434 -0.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6434 -0.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2326 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2326 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3973 -1.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3973 -1.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2134 -1.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2134 -1.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8529 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8529 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4347 -1.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4347 -1.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0154 -1.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0154 -1.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5960 -1.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5960 -1.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5960 -0.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5960 -0.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0154 -0.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0154 -0.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4347 -0.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4347 -0.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3973 -2.3827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3973 -2.3827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6434 -2.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6434 -2.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5634 -0.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5634 -0.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8785 0.2982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.8785 0.2982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -1.5642 0.1896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.5642 0.1896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.6298 0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6298 0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0666 1.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0666 1.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7523 1.3772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.7523 1.3772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.0011 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0011 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0850 0.1896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0850 0.1896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3245 0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3245 0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0079 1.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0079 1.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8571 2.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8571 2.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5960 1.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5960 1.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5898 -0.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5898 -0.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0897 0.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0897 0.6736 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 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 |
| − | 2 17 1 0 0 0 0 | + | 2 17 1 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 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 |
| − | 20 5 1 0 0 0 0 | + | 20 5 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 20 25 1 1 0 0 0 | + | 20 25 1 1 0 0 0 |
| − | 19 26 1 1 0 0 0 | + | 19 26 1 1 0 0 0 |
| − | 23 27 1 1 0 0 0 | + | 23 27 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 6 30 1 0 0 0 0 | + | 6 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 33 -2.5898 -0.1925 | + | M SVB 1 33 -2.5898 -0.1925 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NR0008 | + | ID FL1DA9NR0008 |
| − | KNApSAcK_ID C00008112 | + | KNApSAcK_ID C00008112 |
| − | NAME Adunctin B | + | NAME Adunctin B |
| − | CAS_RN 151484-74-1 | + | CAS_RN 151484-74-1 |
| − | FORMULA C26H30O4 | + | FORMULA C26H30O4 |
| − | EXACTMASS 406.21440944799997 | + | EXACTMASS 406.21440944799997 |
| − | AVERAGEMASS 406.51399999999995 | + | AVERAGEMASS 406.51399999999995 |
| − | SMILES c(c4)c(ccc4)CCC(=O)c(c31)c(O)cc(OC)c([C@@]([H])([C@](O3)(C)2)C[C@@H](C(C)C)C=C2)1 | + | SMILES c(c4)c(ccc4)CCC(=O)c(c31)c(O)cc(OC)c([C@@]([H])([C@](O3)(C)2)C[C@@H](C(C)C)C=C2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.2326 -1.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6434 -1.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0543 -1.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0543 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6434 -0.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2326 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3973 -1.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2134 -1.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8529 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4347 -1.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0154 -1.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5960 -1.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5960 -0.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0154 -0.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4347 -0.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3973 -2.3827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6434 -2.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5634 -0.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8785 0.2982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5642 0.1896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6298 0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0666 1.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7523 1.3772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0011 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0850 0.1896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3245 0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0079 1.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8571 2.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5960 1.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5898 -0.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0897 0.6736 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 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
2 17 1 0 0 0 0
4 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 5 1 0 0 0 0
19 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 20 1 0 0 0 0
20 25 1 1 0 0 0
19 26 1 1 0 0 0
23 27 1 1 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
6 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 -2.5898 -0.1925
S SKP 8
ID FL1DA9NR0008
KNApSAcK_ID C00008112
NAME Adunctin B
CAS_RN 151484-74-1
FORMULA C26H30O4
EXACTMASS 406.21440944799997
AVERAGEMASS 406.51399999999995
SMILES c(c4)c(ccc4)CCC(=O)c(c31)c(O)cc(OC)c([C@@]([H])([C@](O3)(C)2)C[C@@H](C(C)C)C=C2)1
M END
