Mol:FL2FA9NS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.1679 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1679 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3529 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3529 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8738 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8738 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8738 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8738 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3529 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3529 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1679 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1679 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3947 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3947 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9156 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9156 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9156 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9156 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3947 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3947 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4360 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4360 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3947 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3947 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9703 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9703 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5047 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5047 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5047 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5047 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9703 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9703 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4360 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4360 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6888 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6888 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3529 -1.3221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3529 -1.3221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4589 -0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4589 -0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9467 -0.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9467 -0.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4345 -0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4345 -0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4345 0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4345 0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9467 0.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9467 0.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4589 0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4589 0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9767 -0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9767 -0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9767 -1.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9767 -1.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5047 -0.4081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5047 -0.4081 0.0000 O 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 |
| − | 18 6 1 0 0 0 0 | + | 18 6 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 4 0 0 0 | + | 26 28 1 4 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NS0005 | + | ID FL2FA9NS0005 |
| − | KNApSAcK_ID C00008401 | + | KNApSAcK_ID C00008401 |
| − | NAME Pinocembrin 7-[4-(1-hydroxyethyl)phenyl] ether | + | NAME Pinocembrin 7-[4-(1-hydroxyethyl)phenyl] ether |
| − | CAS_RN 108544-83-8 | + | CAS_RN 108544-83-8 |
| − | FORMULA C23H20O5 | + | FORMULA C23H20O5 |
| − | EXACTMASS 376.13107375 | + | EXACTMASS 376.13107375 |
| − | AVERAGEMASS 376.4019 | + | AVERAGEMASS 376.4019 |
| − | SMILES c(c2O)c(cc(O3)c2C(CC3c(c4)cccc4)=O)Oc(c1)ccc(c1)C(C)O | + | SMILES c(c2O)c(cc(O3)c2C(CC3c(c4)cccc4)=O)Oc(c1)ccc(c1)C(C)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-0.1679 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3529 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8738 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8738 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3529 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1679 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3947 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9156 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9156 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3947 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4360 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3947 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9703 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5047 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5047 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9703 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4360 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6888 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3529 -1.3221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4589 -0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9467 -0.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4345 -0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4345 0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9467 0.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4589 0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9767 -0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9767 -1.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5047 -0.4081 0.0000 O 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
18 6 1 0 0 0 0
2 19 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 20 1 0 0 0 0
18 23 1 0 0 0 0
20 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 4 0 0 0
S SKP 8
ID FL2FA9NS0005
KNApSAcK_ID C00008401
NAME Pinocembrin 7-[4-(1-hydroxyethyl)phenyl] ether
CAS_RN 108544-83-8
FORMULA C23H20O5
EXACTMASS 376.13107375
AVERAGEMASS 376.4019
SMILES c(c2O)c(cc(O3)c2C(CC3c(c4)cccc4)=O)Oc(c1)ccc(c1)C(C)O
M END
