Mol:FL1CQUNM0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 24 0 0 0 0 0 0 0 0999 V2000 | + | 23 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4980 0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4980 0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4980 -0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4980 -0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0333 -0.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0333 -0.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5685 -0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5685 -0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5685 0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5685 0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0333 0.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0333 0.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0333 -1.0986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0333 -1.0986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1041 0.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1041 0.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1041 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1041 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3591 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3591 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8223 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8223 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2855 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2855 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7488 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7488 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2120 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2120 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2120 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2120 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7488 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7488 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2855 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2855 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1041 -1.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1041 -1.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7544 0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7544 0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3726 1.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3726 1.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8223 -1.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8223 -1.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3870 0.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3870 0.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2120 0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2120 0.5743 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 1 0 0 0 0 | + | 5 6 1 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 |
| − | 5 8 2 0 0 0 0 | + | 5 8 2 0 0 0 0 |
| − | 4 9 1 0 0 0 0 | + | 4 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 9 18 2 0 0 0 0 | + | 9 18 2 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 11 21 1 0 0 0 0 | + | 11 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 23 -4.3322 2.8018 | + | M SBV 1 23 -4.3322 2.8018 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CQUNM0004 | + | ID FL1CQUNM0004 |
| − | KNApSAcK_ID C00007982 | + | KNApSAcK_ID C00007982 |
| − | NAME Syzygiol | + | NAME Syzygiol |
| − | CAS_RN 133056-30-1 | + | CAS_RN 133056-30-1 |
| − | FORMULA C18H18O5 | + | FORMULA C18H18O5 |
| − | EXACTMASS 314.115423686 | + | EXACTMASS 314.115423686 |
| − | AVERAGEMASS 314.33252 | + | AVERAGEMASS 314.33252 |
| − | SMILES C(C(=C(O)2)C(C(C(OC)=C2)(C)C)=O)(=O)C=C(O)c(c1)cccc1 | + | SMILES C(C(=C(O)2)C(C(C(OC)=C2)(C)C)=O)(=O)C=C(O)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
-1.4980 0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4980 -0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0333 -0.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5685 -0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5685 0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0333 0.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0333 -1.0986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1041 0.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1041 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3591 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8223 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2855 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7488 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2120 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2120 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7488 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2855 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1041 -1.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7544 0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3726 1.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8223 -1.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3870 0.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2120 0.5743 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 1 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
5 8 2 0 0 0 0
4 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 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 12 1 0 0 0 0
9 18 2 0 0 0 0
6 19 1 0 0 0 0
6 20 1 0 0 0 0
11 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 23
M SMT 1 ^OCH3
M SBV 1 23 -4.3322 2.8018
S SKP 8
ID FL1CQUNM0004
KNApSAcK_ID C00007982
NAME Syzygiol
CAS_RN 133056-30-1
FORMULA C18H18O5
EXACTMASS 314.115423686
AVERAGEMASS 314.33252
SMILES C(C(=C(O)2)C(C(C(OC)=C2)(C)C)=O)(=O)C=C(O)c(c1)cccc1
M END
