Mol:FLIE1ANI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9749 1.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9749 1.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9749 0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9749 0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4745 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4745 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0260 0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0260 0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0260 1.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0260 1.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4745 1.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4745 1.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5264 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5264 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0269 0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0269 0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0269 1.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0269 1.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5264 1.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5264 1.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4161 1.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4161 1.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6466 -0.3930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6466 -0.3930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2213 -0.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2213 -0.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4563 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4563 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5609 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5609 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1356 -0.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1356 -0.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3707 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3707 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0310 0.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0310 0.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4753 -1.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4753 -1.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4750 0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4750 0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4750 -0.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4750 -0.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9752 -0.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9752 -0.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4753 -0.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4753 -0.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9752 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9752 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8929 1.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8929 1.5391 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 |
| − | 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 |
| − | 19 16 1 0 0 0 0 | + | 19 16 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 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 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 9 25 2 0 0 0 0 | + | 9 25 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIE1ANI0001 | + | ID FLIE1ANI0001 |
| − | KNApSAcK_ID C00002566 | + | KNApSAcK_ID C00002566 |
| − | NAME Psoralidin;3,9-Dihydroxy-2-prenylcoumestan | + | NAME Psoralidin;3,9-Dihydroxy-2-prenylcoumestan |
| − | CAS_RN 18642-23-4 | + | CAS_RN 18642-23-4 |
| − | FORMULA C20H16O5 | + | FORMULA C20H16O5 |
| − | EXACTMASS 336.099773622 | + | EXACTMASS 336.099773622 |
| − | AVERAGEMASS 336.33804000000003 | + | AVERAGEMASS 336.33804000000003 |
| − | SMILES c(c42)(c1OC(c2c(c3)c(o4)cc(O)c3)=O)cc(c(O)c1)CC=C(C)C | + | SMILES c(c42)(c1OC(c2c(c3)c(o4)cc(O)c3)=O)cc(c(O)c1)CC=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-0.9749 1.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9749 0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4745 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0260 0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0260 1.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4745 1.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5264 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0269 0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0269 1.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5264 1.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4161 1.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6466 -0.3930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2213 -0.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4563 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5609 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1356 -0.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3707 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0310 0.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4753 -1.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4750 0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4750 -0.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9752 -0.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4753 -0.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9752 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8929 1.5391 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
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
19 16 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
9 25 2 0 0 0 0
S SKP 8
ID FLIE1ANI0001
KNApSAcK_ID C00002566
NAME Psoralidin;3,9-Dihydroxy-2-prenylcoumestan
CAS_RN 18642-23-4
FORMULA C20H16O5
EXACTMASS 336.099773622
AVERAGEMASS 336.33804000000003
SMILES c(c42)(c1OC(c2c(c3)c(o4)cc(O)c3)=O)cc(c(O)c1)CC=C(C)C
M END
