Mol:FLIE1ANI0002
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 |
| − | -1.3369 1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3369 1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3369 0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3369 0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7806 0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7806 0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2243 0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2243 0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2243 1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2243 1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7806 1.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7806 1.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3320 0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3320 0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8883 0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8883 0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8883 1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8883 1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3320 1.4155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3320 1.4155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4444 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4444 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4444 -0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4444 -0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0391 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0391 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6339 -0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6339 -0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6339 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6339 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0391 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0391 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3378 -0.5557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3378 -0.5557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2281 -0.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2281 -0.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4444 1.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4444 1.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8850 0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8850 0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8850 -0.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8850 -0.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6072 -0.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6072 -0.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8850 -1.4155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8850 -1.4155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1209 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1209 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2281 -1.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2281 -1.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7690 1.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7690 1.3438 0.0000 O 0 0 0 0 0 0 0 0 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 9 19 2 0 0 0 0 | + | 9 19 2 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 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 1 26 1 0 0 0 0 | + | 1 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIE1ANI0002 | + | ID FLIE1ANI0002 |
| − | KNApSAcK_ID C00009776 | + | KNApSAcK_ID C00009776 |
| − | NAME Psoralidin oxide | + | NAME Psoralidin oxide |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C20H16O6 | + | FORMULA C20H16O6 |
| − | EXACTMASS 352.094688244 | + | EXACTMASS 352.094688244 |
| − | AVERAGEMASS 352.33744 | + | AVERAGEMASS 352.33744 |
| − | SMILES O(C1Cc(c(O)5)cc(c42)c(c5)OC(c2c(c3)c(o4)cc(O)c3)=O)C1(C)C | + | SMILES O(C1Cc(c(O)5)cc(c42)c(c5)OC(c2c(c3)c(o4)cc(O)c3)=O)C1(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/
26 30 0 0 0 0 0 0 0 0999 V2000
-1.3369 1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3369 0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7806 0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2243 0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2243 1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7806 1.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3320 0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8883 0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8883 1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3320 1.4155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4444 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4444 -0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0391 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6339 -0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6339 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0391 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3378 -0.5557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2281 -0.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4444 1.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8850 0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8850 -0.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6072 -0.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8850 -1.4155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1209 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2281 -1.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7690 1.3438 0.0000 O 0 0 0 0 0 0 0 0 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
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
9 19 2 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 21 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
1 26 1 0 0 0 0
S SKP 8
ID FLIE1ANI0002
KNApSAcK_ID C00009776
NAME Psoralidin oxide
CAS_RN -
FORMULA C20H16O6
EXACTMASS 352.094688244
AVERAGEMASS 352.33744
SMILES O(C1Cc(c(O)5)cc(c42)c(c5)OC(c2c(c3)c(o4)cc(O)c3)=O)C1(C)C
M END
