Mol:FL3FG9NS0003
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 |
| − | -0.6964 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6964 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3363 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3363 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6078 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6078 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2394 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2394 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5994 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5994 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3279 -1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3279 -1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5109 -2.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5109 -2.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1424 -3.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1424 -3.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5024 -2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5024 -2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2310 -2.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2310 -2.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0098 -2.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0098 -2.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1342 -3.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1342 -3.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4108 -4.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4108 -4.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0354 -4.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0354 -4.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6168 -4.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6168 -4.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8936 -4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8936 -4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5180 -3.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5180 -3.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2475 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2475 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1112 -0.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1112 -0.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7080 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7080 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2671 -1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2671 -1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2014 -1.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2014 -1.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1829 -0.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1829 -0.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6560 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6560 -0.8071 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 |
| − | 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 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 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 -2.3149 -0.3996 | + | M SVB 3 25 -2.3149 -0.3996 |
| − | 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 -0.766 1.0455 | + | M SVB 2 23 -0.766 1.0455 |
| − | 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 -1.9576 0.77 | + | M SVB 1 21 -1.9576 0.77 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FG9NS0003 | + | ID FL3FG9NS0003 |
| − | KNApSAcK_ID C00003831 | + | KNApSAcK_ID C00003831 |
| − | NAME Alnetin | + | NAME Alnetin |
| − | CAS_RN 3151-82-4 | + | CAS_RN 3151-82-4 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES O(C=2c(c3)cccc3)c(c1OC)c(C(=O)C2)c(c(c1OC)OC)O | + | SMILES O(C=2c(c3)cccc3)c(c1OC)c(C(=O)C2)c(c(c1OC)OC)O |
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
-0.6964 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3363 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6078 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2394 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5994 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3279 -1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5109 -2.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1424 -3.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5024 -2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2310 -2.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0098 -2.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1342 -3.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4108 -4.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0354 -4.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6168 -4.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8936 -4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5180 -3.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2475 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1112 -0.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7080 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2671 -1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2014 -1.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1829 -0.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6560 -0.8071 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
1 19 1 0 0 0 0
19 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
2 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 -2.3149 -0.3996
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 -0.766 1.0455
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 -1.9576 0.77
S SKP 8
ID FL3FG9NS0003
KNApSAcK_ID C00003831
NAME Alnetin
CAS_RN 3151-82-4
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES O(C=2c(c3)cccc3)c(c1OC)c(C(=O)C2)c(c(c1OC)OC)O
M END
