Mol:FL2FAANF0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 36 0 0 0 0 0 0 0 0999 V2000 | + | 32 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5171 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5171 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9962 -0.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9962 -0.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4753 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4753 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4753 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4753 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9962 0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9962 0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5171 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5171 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0455 -0.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0455 -0.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5664 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5664 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5664 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5664 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0455 0.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0455 0.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0868 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0868 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0455 -1.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0455 -1.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6212 0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6212 0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1555 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1555 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1555 1.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1555 1.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6212 1.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6212 1.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0868 1.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0868 1.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6800 1.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6800 1.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9641 -0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9641 -0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7194 -1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7194 -1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1213 -1.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1213 -1.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1213 1.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1213 1.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7194 1.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7194 1.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9641 0.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9641 0.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0199 1.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0199 1.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7201 2.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7201 2.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5336 1.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5336 1.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3582 2.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3582 2.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0199 -1.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0199 -1.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6800 -1.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6800 -1.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6899 -2.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6899 -2.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3218 -2.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3218 -2.3031 0.0000 O 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
| − | 5 22 1 0 0 0 0 | + | 5 22 1 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 6 1 0 0 0 0 | + | 24 6 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 20 29 1 0 0 0 0 | + | 20 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANF0003 | + | ID FL2FAANF0003 |
| − | KNApSAcK_ID C00008427 | + | KNApSAcK_ID C00008427 |
| − | NAME Lonchocarpol E | + | NAME Lonchocarpol E |
| − | CAS_RN 111567-20-5 | + | CAS_RN 111567-20-5 |
| − | FORMULA C25H28O7 | + | FORMULA C25H28O7 |
| − | EXACTMASS 440.18350325 | + | EXACTMASS 440.18350325 |
| − | AVERAGEMASS 440.48562000000004 | + | AVERAGEMASS 440.48562000000004 |
| − | SMILES O(C5C(C)(C)O)c(c43)c(C5)c(c(c3OC(C4)C(C)(C)O)2)OC(CC2=O)c(c1)ccc(c1)O | + | SMILES O(C5C(C)(C)O)c(c43)c(C5)c(c(c3OC(C4)C(C)(C)O)2)OC(CC2=O)c(c1)ccc(c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 36 0 0 0 0 0 0 0 0999 V2000
-1.5171 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9962 -0.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4753 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4753 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9962 0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5171 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0455 -0.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5664 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5664 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0455 0.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0868 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0455 -1.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6212 0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1555 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1555 1.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6212 1.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0868 1.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6800 1.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9641 -0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7194 -1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1213 -1.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1213 1.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7194 1.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9641 0.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0199 1.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7201 2.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5336 1.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3582 2.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0199 -1.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6800 -1.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6899 -2.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3218 -2.3031 0.0000 O 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
15 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 2 1 0 0 0 0
5 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 6 1 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
25 28 1 0 0 0 0
20 29 1 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
29 32 1 0 0 0 0
S SKP 8
ID FL2FAANF0003
KNApSAcK_ID C00008427
NAME Lonchocarpol E
CAS_RN 111567-20-5
FORMULA C25H28O7
EXACTMASS 440.18350325
AVERAGEMASS 440.48562000000004
SMILES O(C5C(C)(C)O)c(c43)c(C5)c(c(c3OC(C4)C(C)(C)O)2)OC(CC2=O)c(c1)ccc(c1)O
M END
