Mol:FL63ACNI0001
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0589 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0589 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0589 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0589 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5204 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5204 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0181 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0181 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0181 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0181 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5204 0.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5204 0.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5566 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5566 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0952 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0952 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0952 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0952 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5566 0.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5566 0.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5747 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5747 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1194 -0.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1194 -0.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6641 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6641 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6641 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6641 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1194 1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1194 1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5747 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5747 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5171 -1.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5171 -1.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2083 1.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2083 1.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5204 -1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5204 -1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1194 1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1194 1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5972 -1.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5972 -1.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1354 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1354 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6725 -1.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6725 -1.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2083 -0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2083 -0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6725 -1.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6725 -1.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5972 0.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5972 0.1635 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 |
| − | 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 8 17 1 1 0 0 0 | + | 8 17 1 1 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 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 |
| − | 23 25 1 0 0 0 0 | + | 23 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 FL63ACNI0001 | + | ID FL63ACNI0001 |
| − | KNApSAcK_ID C00008909 | + | KNApSAcK_ID C00008909 |
| − | NAME 6-Prenylcatechin | + | NAME 6-Prenylcatechin |
| − | CAS_RN 115532-13-3 | + | CAS_RN 115532-13-3 |
| − | FORMULA C20H22O6 | + | FORMULA C20H22O6 |
| − | EXACTMASS 358.141638436 | + | EXACTMASS 358.141638436 |
| − | AVERAGEMASS 358.38508 | + | AVERAGEMASS 358.38508 |
| − | SMILES C(c(c(O)3)c(O)cc(c31)OC(c(c2)cc(c(O)c2)O)C(O)C1)C=C(C)C | + | SMILES C(c(c(O)3)c(O)cc(c31)OC(c(c2)cc(c(O)c2)O)C(O)C1)C=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/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.0589 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0589 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5204 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0181 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0181 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5204 0.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5566 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0952 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0952 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5566 0.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5747 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1194 -0.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6641 0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6641 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1194 1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5747 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5171 -1.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2083 1.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5204 -1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1194 1.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5972 -1.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1354 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6725 -1.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2083 -0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6725 -1.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5972 0.1635 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
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 6 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
8 17 1 1 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
2 21 1 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
23 25 1 0 0 0 0
1 26 1 0 0 0 0
S SKP 8
ID FL63ACNI0001
KNApSAcK_ID C00008909
NAME 6-Prenylcatechin
CAS_RN 115532-13-3
FORMULA C20H22O6
EXACTMASS 358.141638436
AVERAGEMASS 358.38508
SMILES C(c(c(O)3)c(O)cc(c31)OC(c(c2)cc(c(O)c2)O)C(O)C1)C=C(C)C
M END
