Mol:FL2FACNI0007
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 |
| − | -1.8426 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8426 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3217 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3217 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8008 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8008 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8008 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8008 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3217 -0.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3217 -0.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8426 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8426 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2800 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2800 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2409 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2409 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2409 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2409 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2800 -0.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2800 -0.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7613 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7613 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2800 -2.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2800 -2.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2957 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2957 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8300 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8300 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8300 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8300 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2957 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2957 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7613 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7613 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3635 -0.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3635 -0.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3635 0.5977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3635 0.5977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2278 0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2278 0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3217 -2.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3217 -2.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2278 1.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2278 1.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3033 1.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3033 1.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8332 1.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8332 1.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3033 2.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3033 2.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2957 1.2142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2957 1.2142 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 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 |
| − | 16 26 1 0 0 0 0 | + | 16 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FACNI0007 | + | ID FL2FACNI0007 |
| − | KNApSAcK_ID C00008454 | + | KNApSAcK_ID C00008454 |
| − | NAME 2'-Prenyleriodictyol | + | NAME 2'-Prenyleriodictyol |
| − | CAS_RN 109173-57-1 | + | CAS_RN 109173-57-1 |
| − | FORMULA C20H20O6 | + | FORMULA C20H20O6 |
| − | EXACTMASS 356.125988372 | + | EXACTMASS 356.125988372 |
| − | AVERAGEMASS 356.3692 | + | AVERAGEMASS 356.3692 |
| − | SMILES c(c1)c(O)c(c(CC=C(C)C)c1C(C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)O | + | SMILES c(c1)c(O)c(c(CC=C(C)C)c1C(C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)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/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.8426 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8008 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8008 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 -0.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8426 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2800 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2409 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2409 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2800 -0.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7613 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2800 -2.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2957 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8300 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8300 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2957 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7613 0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3635 -0.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3635 0.5977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2278 0.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 -2.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2278 1.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3033 1.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8332 1.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3033 2.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2957 1.2142 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
6 18 1 0 0 0 0
15 19 1 0 0 0 0
17 20 1 0 0 0 0
2 21 1 0 0 0 0
20 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
16 26 1 0 0 0 0
S SKP 8
ID FL2FACNI0007
KNApSAcK_ID C00008454
NAME 2'-Prenyleriodictyol
CAS_RN 109173-57-1
FORMULA C20H20O6
EXACTMASS 356.125988372
AVERAGEMASS 356.3692
SMILES c(c1)c(O)c(c(CC=C(C)C)c1C(C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)O
M END
