Mol:FLIF1LNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6288 1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6288 1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6288 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6288 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0725 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0725 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5162 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5162 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5162 1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5162 1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0725 1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0725 1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0401 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0401 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5964 0.6395 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5964 0.6395 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.5964 1.2819 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5964 1.2819 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0401 1.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0401 1.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1525 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1525 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1525 -0.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1525 -0.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7473 -0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7473 -0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3421 -0.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3421 -0.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3421 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3421 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7473 0.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7473 0.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0401 -0.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0401 -0.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7743 1.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7743 1.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1527 1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1527 1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1849 1.6030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1849 1.6030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1849 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1849 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1849 -0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1849 -0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7398 -0.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7398 -0.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7398 -1.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7398 -1.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2935 -1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2935 -1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3299 -0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3299 -0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0444 -1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0444 -1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3421 -0.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3421 -0.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3421 -0.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3421 -0.3683 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 |
| − | 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 9 1 0 0 0 0 | + | 19 9 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 13 26 1 0 0 0 0 | + | 13 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 14 28 1 0 0 0 0 | + | 14 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 28 29 | + | M SAL 2 2 28 29 |
| − | M SBL 2 1 31 | + | M SBL 2 1 31 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 31 2.579 -0.5746 | + | M SVB 2 31 2.579 -0.5746 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 29 1.3299 -0.8833 | + | M SVB 1 29 1.3299 -0.8833 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIF1LNI0001 | + | ID FLIF1LNI0001 |
| − | KNApSAcK_ID C00009573 | + | KNApSAcK_ID C00009573 |
| − | NAME Myriconol | + | NAME Myriconol |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C23H22O6 | + | FORMULA C23H22O6 |
| − | EXACTMASS 394.141638436 | + | EXACTMASS 394.141638436 |
| − | AVERAGEMASS 394.41718000000003 | + | AVERAGEMASS 394.41718000000003 |
| − | SMILES C(C42)(Oc(c(C4=O)3)cc(O)c(C=CCC=C)c3)COc(c21)cc(OC)c(OC)c1 | + | SMILES C(C42)(Oc(c(C4=O)3)cc(O)c(C=CCC=C)c3)COc(c21)cc(OC)c(OC)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-1.6288 1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6288 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0725 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5162 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5162 1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0725 1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0401 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5964 0.6395 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5964 1.2819 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0401 1.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1525 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1525 -0.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7473 -0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3421 -0.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3421 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7473 0.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0401 -0.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7743 1.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1527 1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1849 1.6030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1849 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1849 -0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7398 -0.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7398 -1.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2935 -1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3299 -0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0444 -1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3421 -0.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3421 -0.3683 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
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
8 11 1 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 11 2 0 0 0 0
7 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 9 1 0 0 0 0
1 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
13 26 1 0 0 0 0
26 27 1 0 0 0 0
14 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 31
M SMT 2 OCH3
M SVB 2 31 2.579 -0.5746
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 1.3299 -0.8833
S SKP 8
ID FLIF1LNI0001
KNApSAcK_ID C00009573
NAME Myriconol
CAS_RN -
FORMULA C23H22O6
EXACTMASS 394.141638436
AVERAGEMASS 394.41718000000003
SMILES C(C42)(Oc(c(C4=O)3)cc(O)c(C=CCC=C)c3)COc(c21)cc(OC)c(OC)c1
M END
