Mol:FLIAE9GS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0187 0.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0187 0.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2979 0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2979 0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4226 0.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4226 0.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4226 -0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4226 -0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1698 -1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1698 -1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9172 -0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9172 -0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9172 0.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9172 0.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1698 0.7194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1698 0.7194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0187 -0.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0187 -0.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2979 -0.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2979 -0.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1698 -1.8686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1698 -1.8686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6639 -1.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6639 -1.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6639 -1.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6639 -1.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3782 -2.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3782 -2.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0927 -1.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0927 -1.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0927 -1.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0927 -1.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3782 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3782 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6811 0.6703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6811 0.6703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1238 0.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1238 0.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3379 0.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3379 0.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9027 0.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9027 0.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0958 1.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0958 1.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8816 1.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8816 1.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3169 1.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3169 1.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8362 2.2433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8362 2.2433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2986 1.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2986 1.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0927 1.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0927 1.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7082 -0.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7082 -0.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3115 -1.7919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3115 -1.7919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6520 -0.9097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6520 -0.9097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7262 -1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7262 -1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 11 2 0 0 0 0 | + | 5 11 2 0 0 0 0 |
| − | 6 12 1 0 0 0 0 | + | 6 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 20 19 1 1 0 0 0 | + | 20 19 1 1 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 19 1 1 0 0 0 | + | 24 19 1 1 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 19 28 1 0 0 0 0 | + | 19 28 1 0 0 0 0 |
| − | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
| − | 10 29 1 0 0 0 0 | + | 10 29 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 9 30 1 0 0 0 0 | + | 9 30 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 34 0.6333 0.3656 | + | M SBV 1 34 0.6333 0.3656 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FLIAE9GS0001 | + | ID FLIAE9GS0001 |
| − | FORMULA C22H22O9 | + | FORMULA C22H22O9 |
| − | EXACTMASS 430.126382302 | + | EXACTMASS 430.126382302 |
| − | AVERAGEMASS 430.40468000000004 | + | AVERAGEMASS 430.40468000000004 |
| − | SMILES COc(c3OC(O4)C(C(C(O)C4C)O)O)c(c(C1=O)c(c3)OC=C1c(c2)cccc2)O | + | SMILES COc(c3OC(O4)C(C(C(O)C4C)O)O)c(c(C1=O)c(c3)OC=C1c(c2)cccc2)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.0187 0.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2979 0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4226 0.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4226 -0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1698 -1.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9172 -0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9172 0.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1698 0.7194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0187 -0.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2979 -0.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1698 -1.8686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6639 -1.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6639 -1.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3782 -2.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0927 -1.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0927 -1.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3782 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6811 0.6703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1238 0.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3379 0.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9027 0.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0958 1.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8816 1.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3169 1.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8362 2.2433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2986 1.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0927 1.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7082 -0.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3115 -1.7919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6520 -0.9097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7262 -1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 11 2 0 0 0 0
6 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
1 18 1 0 0 0 0
20 19 1 1 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 19 1 1 0 0 0
23 25 1 0 0 0 0
22 26 1 0 0 0 0
24 27 1 0 0 0 0
19 28 1 0 0 0 0
20 18 1 0 0 0 0
10 29 1 0 0 0 0
30 31 1 0 0 0 0
9 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 ^OCH3
M SBV 1 34 0.6333 0.3656
S SKP 5
ID FLIAE9GS0001
FORMULA C22H22O9
EXACTMASS 430.126382302
AVERAGEMASS 430.40468000000004
SMILES COc(c3OC(O4)C(C(C(O)C4C)O)O)c(c(C1=O)c(c3)OC=C1c(c2)cccc2)O
M END
