Mol:FL4DA9NS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5152 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5152 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5152 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5152 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0148 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5143 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5143 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5143 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5143 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0148 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0139 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0139 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4865 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4865 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4865 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4865 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0139 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0139 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9867 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9867 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5010 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5010 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0154 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0154 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0154 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0154 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5010 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5010 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9867 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9867 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4865 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4865 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0154 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0154 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0139 -1.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0139 -1.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0148 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0867 -0.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0867 -0.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8929 -1.1493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8929 -1.1493 0.0000 H 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 |
| − | 4 7 1 0 0 0 0 | + | 4 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 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 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 9 17 1 1 0 0 0 | + | 9 17 1 1 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 8 21 1 1 0 0 0 | + | 8 21 1 1 0 0 0 |
| − | 8 22 1 6 0 0 0 | + | 8 22 1 6 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA9NS0001 | + | ID FL4DA9NS0001 |
| − | KNApSAcK_ID C00000991 | + | KNApSAcK_ID C00000991 |
| − | NAME Pinobanksin | + | NAME Pinobanksin |
| − | CAS_RN 548-82-3 | + | CAS_RN 548-82-3 |
| − | FORMULA C15H12O5 | + | FORMULA C15H12O5 |
| − | EXACTMASS 272.068473494 | + | EXACTMASS 272.068473494 |
| − | AVERAGEMASS 272.25278000000003 | + | AVERAGEMASS 272.25278000000003 |
| − | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C([H])(O)C([H])1c(c2)cccc2 | + | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C([H])(O)C([H])1c(c2)cccc2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.5152 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5152 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5143 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5143 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0139 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4865 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4865 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0139 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9867 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5010 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0154 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0154 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5010 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9867 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4865 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0154 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0139 -1.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0867 -0.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8929 -1.1493 0.0000 H 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
4 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 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
9 17 1 1 0 0 0
1 18 1 0 0 0 0
7 19 2 0 0 0 0
3 20 1 0 0 0 0
8 21 1 1 0 0 0
8 22 1 6 0 0 0
S SKP 8
ID FL4DA9NS0001
KNApSAcK_ID C00000991
NAME Pinobanksin
CAS_RN 548-82-3
FORMULA C15H12O5
EXACTMASS 272.068473494
AVERAGEMASS 272.25278000000003
SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C([H])(O)C([H])1c(c2)cccc2
M END
