Mol:FLIE1ANP0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 30 0 0 0 0 0 0 0 0999 V2000 | + | 26 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.6301 1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6301 1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6301 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6301 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0738 0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0738 0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5175 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5175 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5175 1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5175 1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0738 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0738 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9612 0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9612 0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4049 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4049 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9612 1.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9612 1.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1512 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1512 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1512 -0.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1512 -0.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7460 -0.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7460 -0.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3408 -0.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3408 -0.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3408 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3408 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7460 0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7460 0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9595 -0.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9595 -0.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1864 1.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1864 1.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9350 -0.9459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9350 -0.9459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4049 1.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4049 1.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9350 0.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9350 0.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5304 -0.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5304 -0.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5304 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5304 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1244 0.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1244 0.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1864 -0.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1864 -0.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5304 -1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5304 -1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1513 1.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1513 1.3681 0.0000 O 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 9 5 1 0 0 0 0 | + | 9 5 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 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 1 0 0 0 0 | + | 7 16 1 0 0 0 0 |
| − | 17 1 1 0 0 0 0 | + | 17 1 1 0 0 0 0 |
| − | 11 16 1 0 0 0 0 | + | 11 16 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 19 9 1 0 0 0 0 | + | 19 9 1 0 0 0 0 |
| − | 19 26 2 0 0 0 0 | + | 19 26 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIE1ANP0006 | + | ID FLIE1ANP0006 |
| − | KNApSAcK_ID C00010053 | + | KNApSAcK_ID C00010053 |
| − | NAME Bavacoumestan A | + | NAME Bavacoumestan A |
| − | CAS_RN 129385-63-3 | + | CAS_RN 129385-63-3 |
| − | FORMULA C20H16O6 | + | FORMULA C20H16O6 |
| − | EXACTMASS 352.094688244 | + | EXACTMASS 352.094688244 |
| − | AVERAGEMASS 352.33744 | + | AVERAGEMASS 352.33744 |
| − | SMILES c(O)(c1)ccc(c52)c1OC(c(c(c4)c(o5)cc(c43)OC(C)(C)C(O)C3)2)=O | + | SMILES c(O)(c1)ccc(c52)c1OC(c(c(c4)c(o5)cc(c43)OC(C)(C)C(O)C3)2)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 30 0 0 0 0 0 0 0 0999 V2000
-2.6301 1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6301 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0738 0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5175 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5175 1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0738 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9612 0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4049 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9612 1.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1512 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1512 -0.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7460 -0.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3408 -0.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3408 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7460 0.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9595 -0.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1864 1.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9350 -0.9459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4049 1.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9350 0.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5304 -0.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5304 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1244 0.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1864 -0.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5304 -1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1513 1.3681 0.0000 O 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 2 0 0 0 0
9 5 1 0 0 0 0
8 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 1 0 0 0 0
17 1 1 0 0 0 0
11 16 1 0 0 0 0
13 18 1 0 0 0 0
8 19 1 0 0 0 0
14 20 1 0 0 0 0
18 21 1 0 0 0 0
21 22 1 0 0 0 0
22 20 1 0 0 0 0
22 23 1 0 0 0 0
21 24 1 0 0 0 0
21 25 1 0 0 0 0
19 9 1 0 0 0 0
19 26 2 0 0 0 0
S SKP 8
ID FLIE1ANP0006
KNApSAcK_ID C00010053
NAME Bavacoumestan A
CAS_RN 129385-63-3
FORMULA C20H16O6
EXACTMASS 352.094688244
AVERAGEMASS 352.33744
SMILES c(O)(c1)ccc(c52)c1OC(c(c(c4)c(o5)cc(c43)OC(C)(C)C(O)C3)2)=O
M END
