Mol:FL2FAENI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.3810 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3810 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3810 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3810 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1753 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1753 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7316 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7316 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7316 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7316 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1753 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1753 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2879 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2879 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8442 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8442 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8442 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8442 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2879 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2879 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4003 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4003 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9673 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9673 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5342 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5342 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5342 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5342 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9673 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9673 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4003 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4003 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2879 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2879 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1753 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1753 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9371 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9371 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9673 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9673 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9371 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9371 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4932 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4932 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0481 -1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0481 -1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6030 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6030 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0481 -1.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0481 -1.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1567 -1.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1567 -1.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7105 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7105 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2630 -1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2630 -1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8155 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8155 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2630 -1.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2630 -1.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1010 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1010 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8155 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8155 0.7145 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 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 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 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 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 33 -5.5645 6.5657 | + | M SBV 1 33 -5.5645 6.5657 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAENI0001 | + | ID FL2FAENI0001 |
| − | KNApSAcK_ID C00008327 | + | KNApSAcK_ID C00008327 |
| − | NAME 4'-O-Methyldiplacone | + | NAME 4'-O-Methyldiplacone |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C26H30O6 | + | FORMULA C26H30O6 |
| − | EXACTMASS 438.204238692 | + | EXACTMASS 438.204238692 |
| − | AVERAGEMASS 438.51279999999997 | + | AVERAGEMASS 438.51279999999997 |
| − | SMILES c(c1C(O2)CC(=O)c(c3O)c2cc(O)c3CC=C(CCC=C(C)C)C)c(O)c(OC)cc1 | + | SMILES c(c1C(O2)CC(=O)c(c3O)c2cc(O)c3CC=C(CCC=C(C)C)C)c(O)c(OC)cc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-0.3810 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3810 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1753 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7316 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7316 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1753 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2879 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8442 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8442 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2879 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4003 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9673 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5342 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5342 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9673 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4003 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2879 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1753 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9371 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9673 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9371 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4932 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0481 -1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6030 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0481 -1.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1567 -1.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7105 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2630 -1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8155 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2630 -1.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1010 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8155 0.7145 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
9 11 1 0 0 0 0
11 12 2 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 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
2 21 1 0 0 0 0
21 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
24 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
14 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 33
M SMT 1 OCH3
M SBV 1 33 -5.5645 6.5657
S SKP 8
ID FL2FAENI0001
KNApSAcK_ID C00008327
NAME 4'-O-Methyldiplacone
CAS_RN -
FORMULA C26H30O6
EXACTMASS 438.204238692
AVERAGEMASS 438.51279999999997
SMILES c(c1C(O2)CC(=O)c(c3O)c2cc(O)c3CC=C(CCC=C(C)C)C)c(O)c(OC)cc1
M END
