Mol:FLIA1LNP0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 35 0 0 0 0 0 0 0 0999 V2000 | + | 31 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8301 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8301 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8301 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8301 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2737 0.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2737 0.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7174 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7174 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7174 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7174 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2737 1.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2737 1.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1611 0.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1611 0.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3952 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3952 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3952 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3952 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1611 1.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1611 1.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9513 0.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9513 0.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9513 -0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9513 -0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5460 -0.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5460 -0.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1408 -0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1408 -0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1408 0.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1408 0.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5460 0.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5460 0.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1611 -0.1832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1611 -0.1832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3861 0.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3861 0.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3864 1.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3864 1.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9427 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9427 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9427 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9427 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5737 1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5737 1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2978 2.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2978 2.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5460 -1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5460 -1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1408 -1.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1408 -1.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7356 -1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7356 -1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7356 -0.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7356 -0.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5737 -1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5737 -1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9445 -2.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9445 -2.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2368 -0.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2368 -0.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9513 -0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9513 -0.5708 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 2 0 0 0 0 | + | 8 9 2 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 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 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 18 2 0 0 0 0 | + | 21 18 2 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 14 1 0 0 0 0 | + | 27 14 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 12 30 1 0 0 0 0 | + | 12 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 34 -6.4591 3.9050 | + | M SBV 1 34 -6.4591 3.9050 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1LNP0005 | + | ID FLIA1LNP0005 |
| − | KNApSAcK_ID C00009447 | + | KNApSAcK_ID C00009447 |
| − | NAME Munetone | + | NAME Munetone |
| − | CAS_RN 5772-07-6 | + | CAS_RN 5772-07-6 |
| − | FORMULA C26H24O5 | + | FORMULA C26H24O5 |
| − | EXACTMASS 416.162373878 | + | EXACTMASS 416.162373878 |
| − | AVERAGEMASS 416.46576 | + | AVERAGEMASS 416.46576 |
| − | SMILES O(c13)C=C(c(c4OC)ccc(O5)c4C=CC5(C)C)C(c1cc(c(c3)2)C=CC(C)(C)O2)=O | + | SMILES O(c13)C=C(c(c4OC)ccc(O5)c4C=CC5(C)C)C(c1cc(c(c3)2)C=CC(C)(C)O2)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-1.8301 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8301 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2737 0.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7174 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7174 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2737 1.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1611 0.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3952 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3952 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1611 1.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9513 0.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9513 -0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5460 -0.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1408 -0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1408 0.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5460 0.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1611 -0.1832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3861 0.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3864 1.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9427 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9427 0.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5737 1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2978 2.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5460 -1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1408 -1.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7356 -1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7356 -0.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5737 -1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9445 -2.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2368 -0.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9513 -0.5708 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 2 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 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
2 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 18 2 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
13 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 14 1 0 0 0 0
26 28 1 0 0 0 0
26 29 1 0 0 0 0
12 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 ^OCH3
M SBV 1 34 -6.4591 3.9050
S SKP 8
ID FLIA1LNP0005
KNApSAcK_ID C00009447
NAME Munetone
CAS_RN 5772-07-6
FORMULA C26H24O5
EXACTMASS 416.162373878
AVERAGEMASS 416.46576
SMILES O(c13)C=C(c(c4OC)ccc(O5)c4C=CC5(C)C)C(c1cc(c(c3)2)C=CC(C)(C)O2)=O
M END
