Mol:FL7ABHNS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -2.1416 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1416 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1416 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1416 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5853 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5853 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0290 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0290 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0290 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0290 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5853 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5853 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4727 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4727 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0836 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0836 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0836 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0836 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4727 0.1107 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.4727 0.1107 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6397 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6397 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2067 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2067 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7737 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7737 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7737 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7737 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2067 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2067 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6397 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6397 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3405 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3405 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6977 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6977 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6397 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6397 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2067 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2067 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6398 -0.3893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6398 -0.3893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5058 -0.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5058 -0.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0217 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0217 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3073 -1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3073 -1.7471 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 -2.0217 -1.3346 | + | M SVB 2 25 -2.0217 -1.3346 |
| − | 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 SVB 1 23 1.9832 -0.0957 | + | M SVB 1 23 1.9832 -0.0957 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7ABHNS0001 | + | ID FL7ABHNS0001 |
| − | KNApSAcK_ID C00006618 | + | KNApSAcK_ID C00006618 |
| − | NAME Europinidin | + | NAME Europinidin |
| − | CAS_RN 19077-87-3 | + | CAS_RN 19077-87-3 |
| − | FORMULA C17H15O7 | + | FORMULA C17H15O7 |
| − | EXACTMASS 331.081777834 | + | EXACTMASS 331.081777834 |
| − | AVERAGEMASS 331.29679999999996 | + | AVERAGEMASS 331.29679999999996 |
| − | SMILES COc(c1)c(O)c(O)cc1c([o+1]2)c(O)cc(c(OC)3)c(cc(O)c3)2 | + | SMILES COc(c1)c(O)c(O)cc1c([o+1]2)c(O)cc(c(OC)3)c(cc(O)c3)2 |
M END | M END | ||
| − | |||
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
-2.1416 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1416 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0290 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0290 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4727 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4727 0.1107 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.6397 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2067 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7737 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7737 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2067 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6397 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3405 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6977 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6397 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2067 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6398 -0.3893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5058 -0.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0217 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3073 -1.7471 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
15 20 1 0 0 0 0
13 21 1 0 0 0 0
21 22 1 0 0 0 0
3 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 -2.0217 -1.3346
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 SVB 1 23 1.9832 -0.0957
S SKP 8
ID FL7ABHNS0001
KNApSAcK_ID C00006618
NAME Europinidin
CAS_RN 19077-87-3
FORMULA C17H15O7
EXACTMASS 331.081777834
AVERAGEMASS 331.29679999999996
SMILES COc(c1)c(O)c(O)cc1c([o+1]2)c(O)cc(c(OC)3)c(cc(O)c3)2
M END
