Mol:FL1CHYNF0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7355 0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7355 0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7355 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7355 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1792 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1792 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6228 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6228 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6228 0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6228 0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1792 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1792 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0665 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0665 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4898 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4898 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0458 -0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0458 -0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6019 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6019 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1629 -0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1629 -0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7239 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7239 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7239 0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7239 0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1629 0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1629 0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6019 0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6019 0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0665 -0.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0665 -0.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0458 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0458 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3464 0.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3464 0.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7239 0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7239 0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3464 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3464 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6156 -0.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6156 -0.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9011 -0.8991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9011 -0.8991 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 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 |
| − | 9 17 2 0 0 0 0 | + | 9 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 23 -5.7978 3.7563 | + | M SBV 1 23 -5.7978 3.7563 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNF0003 | + | ID FL1CHYNF0003 |
| − | KNApSAcK_ID C00007018 | + | KNApSAcK_ID C00007018 |
| − | NAME Pongamol | + | NAME Pongamol |
| − | CAS_RN 484-33-3 | + | CAS_RN 484-33-3 |
| − | FORMULA C18H14O4 | + | FORMULA C18H14O4 |
| − | EXACTMASS 294.089208936 | + | EXACTMASS 294.089208936 |
| − | AVERAGEMASS 294.30136 | + | AVERAGEMASS 294.30136 |
| − | SMILES c(c23)(occ3)ccc(c2OC)C(=O)CC(=O)c(c1)cccc1 | + | SMILES c(c23)(occ3)ccc(c2OC)C(=O)CC(=O)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.7355 0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7355 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1792 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6228 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6228 0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1792 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0665 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4898 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0458 -0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6019 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1629 -0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7239 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7239 0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1629 0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6019 0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0665 -0.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0458 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3464 0.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7239 0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3464 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6156 -0.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9011 -0.8991 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 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
9 17 2 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 2 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SBV 1 23 -5.7978 3.7563
S SKP 8
ID FL1CHYNF0003
KNApSAcK_ID C00007018
NAME Pongamol
CAS_RN 484-33-3
FORMULA C18H14O4
EXACTMASS 294.089208936
AVERAGEMASS 294.30136
SMILES c(c23)(occ3)ccc(c2OC)C(=O)CC(=O)c(c1)cccc1
M END
