Mol:FL1CQUNM0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 23 0 0 0 0 0 0 0 0999 V2000 | + | 22 23 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.4796 0.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4796 0.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4796 -0.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4796 -0.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0359 -0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0359 -0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5922 -0.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5922 -0.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5922 0.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5922 0.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0359 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0359 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3464 -0.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3464 -0.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9027 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9027 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2097 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2097 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7707 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7707 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2097 -0.9718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2097 -0.9718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7707 0.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7707 0.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3233 0.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3233 0.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8760 0.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8760 0.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8760 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8760 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3233 -0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3233 -0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3233 -0.9545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3233 -0.9545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4285 -0.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4285 -0.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2180 0.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2180 0.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4964 0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4964 0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7672 0.9718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7672 0.9718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5922 0.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5922 0.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 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 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 10 2 0 0 0 0 | + | 16 10 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 12 19 2 0 0 0 0 | + | 12 19 2 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 22 -8.8850 3.0054 | + | M SBV 1 22 -8.8850 3.0054 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CQUNM0003 | + | ID FL1CQUNM0003 |
| − | KNApSAcK_ID C00007173 | + | KNApSAcK_ID C00007173 |
| − | NAME Ceroptene | + | NAME Ceroptene |
| − | CAS_RN 56015-03-3 | + | CAS_RN 56015-03-3 |
| − | FORMULA C18H18O4 | + | FORMULA C18H18O4 |
| − | EXACTMASS 298.120509064 | + | EXACTMASS 298.120509064 |
| − | AVERAGEMASS 298.33312 | + | AVERAGEMASS 298.33312 |
| − | SMILES C(C=1C(=O)C=Cc(c2)cccc2)(=O)C=C(C(C1O)(C)C)OC | + | SMILES C(C=1C(=O)C=Cc(c2)cccc2)(=O)C=C(C(C1O)(C)C)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
1.4796 0.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4796 -0.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0359 -0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5922 -0.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5922 0.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0359 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3464 -0.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9027 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2097 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7707 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2097 -0.9718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7707 0.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3233 0.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8760 0.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8760 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3233 -0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3233 -0.9545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4285 -0.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2180 0.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4964 0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7672 0.9718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5922 0.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 12 1 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 1 0 0 0 0
16 10 2 0 0 0 0
16 17 1 0 0 0 0
15 18 1 0 0 0 0
12 19 2 0 0 0 0
15 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 22
M SMT 1 ^OCH3
M SBV 1 22 -8.8850 3.0054
S SKP 8
ID FL1CQUNM0003
KNApSAcK_ID C00007173
NAME Ceroptene
CAS_RN 56015-03-3
FORMULA C18H18O4
EXACTMASS 298.120509064
AVERAGEMASS 298.33312
SMILES C(C=1C(=O)C=Cc(c2)cccc2)(=O)C=C(C(C1O)(C)C)OC
M END
