Mol:FL2FA9NS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5569 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5569 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0360 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0360 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4849 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4849 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4849 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4849 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0360 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0360 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5569 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5569 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0058 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0058 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5267 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5267 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5267 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5267 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0058 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0058 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0470 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0470 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0058 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0058 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5814 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5814 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1157 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1157 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1157 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1157 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5814 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5814 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0470 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0470 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0360 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0360 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0773 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0773 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5548 0.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5548 0.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5548 -0.5048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5548 -0.5048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1324 0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1324 0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1324 1.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1324 1.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6241 1.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6241 1.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1157 1.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1157 1.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1157 0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1157 0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6241 0.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6241 0.2128 0.0000 C 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 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 2 0 0 0 0 | + | 27 22 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NS0008 | + | ID FL2FA9NS0008 |
| − | KNApSAcK_ID C00008480 | + | KNApSAcK_ID C00008480 |
| − | NAME Pinocembrin 7-O-benzoate | + | NAME Pinocembrin 7-O-benzoate |
| − | CAS_RN 153653-38-4 | + | CAS_RN 153653-38-4 |
| − | FORMULA C22H16O5 | + | FORMULA C22H16O5 |
| − | EXACTMASS 360.099773622 | + | EXACTMASS 360.099773622 |
| − | AVERAGEMASS 360.35944000000006 | + | AVERAGEMASS 360.35944000000006 |
| − | SMILES C(O2)(CC(c(c4O)c(cc(c4)OC(c(c3)cccc3)=O)2)=O)c(c1)cccc1 | + | SMILES C(O2)(CC(c(c4O)c(cc(c4)OC(c(c3)cccc3)=O)2)=O)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-0.5569 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0360 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4849 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4849 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0360 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5569 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0058 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5267 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5267 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0058 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0470 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0058 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5814 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1157 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1157 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5814 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0470 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0360 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0773 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5548 0.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5548 -0.5048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1324 0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1324 1.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6241 1.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1157 1.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1157 0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6241 0.2128 0.0000 C 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
2 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 22 2 0 0 0 0
S SKP 8
ID FL2FA9NS0008
KNApSAcK_ID C00008480
NAME Pinocembrin 7-O-benzoate
CAS_RN 153653-38-4
FORMULA C22H16O5
EXACTMASS 360.099773622
AVERAGEMASS 360.35944000000006
SMILES C(O2)(CC(c(c4O)c(cc(c4)OC(c(c3)cccc3)=O)2)=O)c(c1)cccc1
M END
