Mol:FL3FALNS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4197 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4197 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8634 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8634 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3070 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3070 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3070 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3070 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8634 0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8634 0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1944 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1944 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1944 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1944 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 0.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 0.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 -1.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 -1.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3617 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3617 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4956 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4956 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4956 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4956 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3617 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3617 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8634 -1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8634 -1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0624 1.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0624 1.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7769 0.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7769 0.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7769 0.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7769 0.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2769 1.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2769 1.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0044 1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0044 1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4956 2.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4956 2.4661 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 17 23 1 0 0 0 0 | + | 17 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 25 | + | M SBL 3 1 25 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 25 0.0044 1.6001 | + | M SVB 3 25 0.0044 1.6001 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 -2.7769 0.6243 | + | M SVB 2 23 -2.7769 0.6243 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 2.0624 1.3086 | + | M SVB 1 21 2.0624 1.3086 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNS0004 | + | ID FL3FALNS0004 |
| − | KNApSAcK_ID C00003861 | + | KNApSAcK_ID C00003861 |
| − | NAME Noratocarpetin 7,2',4'-trimethyl ether | + | NAME Noratocarpetin 7,2',4'-trimethyl ether |
| − | CAS_RN 132718-84-4 | + | CAS_RN 132718-84-4 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES O(C(c(c(OC)3)ccc(OC)c3)=2)c(c1C(=O)C2)cc(OC)cc1O | + | SMILES O(C(c(c(OC)3)ccc(OC)c3)=2)c(c1C(=O)C2)cc(OC)cc1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.4197 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 0.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0624 1.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7769 0.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 0.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2769 1.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0044 1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4956 2.4661 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
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
17 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 0.0044 1.6001
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -2.7769 0.6243
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 2.0624 1.3086
S SKP 8
ID FL3FALNS0004
KNApSAcK_ID C00003861
NAME Noratocarpetin 7,2',4'-trimethyl ether
CAS_RN 132718-84-4
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES O(C(c(c(OC)3)ccc(OC)c3)=2)c(c1C(=O)C2)cc(OC)cc1O
M END
