Mol:FL7ACDNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0624 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0624 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0624 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0624 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5061 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5061 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9498 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9498 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9498 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9498 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5061 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5061 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3935 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3935 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1628 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1628 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1628 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1628 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3935 0.1844 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.3935 0.1844 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7189 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7189 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2859 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2859 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8528 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8528 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8528 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8528 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2859 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2859 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7189 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7189 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8528 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8528 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5061 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5061 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7189 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7189 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4197 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9197 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9197 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5693 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0107 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0107 2.6397 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 1.5693 1.7424 | + | M SVB 2 24 1.5693 1.7424 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 -2.4197 0.482 | + | M SVB 1 22 -2.4197 0.482 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7ACDNS0001 | + | ID FL7ACDNS0001 |
| − | KNApSAcK_ID C00006615 | + | KNApSAcK_ID C00006615 |
| − | NAME Rosinidin | + | NAME Rosinidin |
| − | CAS_RN 4092-64-2 | + | CAS_RN 4092-64-2 |
| − | FORMULA C17H15O6 | + | FORMULA C17H15O6 |
| − | EXACTMASS 315.086863212 | + | EXACTMASS 315.086863212 |
| − | AVERAGEMASS 315.2974 | + | AVERAGEMASS 315.2974 |
| − | SMILES COc(c1)cc([o+1]2)c(cc(O)c2c(c3)cc(OC)c(O)c3)c(O)1 | + | SMILES COc(c1)cc([o+1]2)c(cc(O)c2c(c3)cc(OC)c(O)c3)c(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.0624 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 0.1844 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.7189 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8528 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9197 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0107 2.6397 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 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
14 17 1 0 0 0 0
3 18 1 0 0 0 0
8 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 1.5693 1.7424
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -2.4197 0.482
S SKP 8
ID FL7ACDNS0001
KNApSAcK_ID C00006615
NAME Rosinidin
CAS_RN 4092-64-2
FORMULA C17H15O6
EXACTMASS 315.086863212
AVERAGEMASS 315.2974
SMILES COc(c1)cc([o+1]2)c(cc(O)c2c(c3)cc(OC)c(O)c3)c(O)1
M END
