Mol:FL1DHYNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3304 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3304 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3304 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3304 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7764 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7764 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2224 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2224 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2224 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2224 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7764 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7764 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6687 -0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6687 -0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1161 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1161 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4352 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4352 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9853 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9853 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5237 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5237 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0621 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0621 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0621 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0621 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5237 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5237 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9853 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9853 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6687 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6687 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9388 0.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9388 0.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3148 0.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3148 0.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9388 -0.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9388 -0.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0784 -0.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0784 -0.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7928 -0.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7928 -0.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0036 -0.4791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0036 -0.4791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7109 -0.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7109 -0.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6003 0.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6003 0.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3148 0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3148 0.5176 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 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 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 2 1 0 0 0 0 | + | 19 2 1 0 0 0 0 |
| − | 11 20 1 0 0 0 0 | + | 11 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 9 22 1 0 0 0 0 | + | 9 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 22 -7.0822 3.2678 | + | M SBV 1 22 -7.0822 3.2678 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 24 -7.0757 3.2640 | + | M SBV 2 24 -7.0757 3.2640 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SBV 3 26 -6.0987 3.7339 | + | M SBV 3 26 -6.0987 3.7339 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DHYNS0002 | + | ID FL1DHYNS0002 |
| − | KNApSAcK_ID C00007957 | + | KNApSAcK_ID C00007957 |
| − | NAME Dihydroisomilletenone methyl ether | + | NAME Dihydroisomilletenone methyl ether |
| − | CAS_RN 96400-41-8 | + | CAS_RN 96400-41-8 |
| − | FORMULA C19H20O6 | + | FORMULA C19H20O6 |
| − | EXACTMASS 344.125988372 | + | EXACTMASS 344.125988372 |
| − | AVERAGEMASS 344.3585 | + | AVERAGEMASS 344.3585 |
| − | SMILES c(c32)(OCO3)ccc(c2)C(=O)CC(c(c(OC)1)ccc(OC)c1)OC | + | SMILES c(c32)(OCO3)ccc(c2)C(=O)CC(c(c(OC)1)ccc(OC)c1)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.3304 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3304 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7764 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2224 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2224 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7764 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6687 -0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1161 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4352 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9853 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5237 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0621 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0621 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5237 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9853 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6687 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9388 0.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3148 0.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9388 -0.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0784 -0.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7928 -0.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0036 -0.4791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7109 -0.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6003 0.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3148 0.5176 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 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 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 10 1 0 0 0 0
7 16 2 0 0 0 0
1 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 2 1 0 0 0 0
11 20 1 0 0 0 0
20 21 1 0 0 0 0
9 22 1 0 0 0 0
22 23 1 0 0 0 0
13 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SBV 1 22 -7.0822 3.2678
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SBV 2 24 -7.0757 3.2640
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SBV 3 26 -6.0987 3.7339
S SKP 8
ID FL1DHYNS0002
KNApSAcK_ID C00007957
NAME Dihydroisomilletenone methyl ether
CAS_RN 96400-41-8
FORMULA C19H20O6
EXACTMASS 344.125988372
AVERAGEMASS 344.3585
SMILES c(c32)(OCO3)ccc(c2)C(=O)CC(c(c(OC)1)ccc(OC)c1)OC
M END
