Mol:FL2FACNN0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 38 0 0 0 0 0 0 0 0999 V2000 | + | 34 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.3788 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3788 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3370 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3370 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3370 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3370 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3788 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3788 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -1.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -1.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8992 0.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8992 0.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8162 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8162 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2953 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2953 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2953 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2953 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8162 0.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8162 0.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7749 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7749 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8162 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8162 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2405 -0.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2405 -0.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2938 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2938 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2938 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2938 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2405 1.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2405 1.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7749 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7749 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8806 -0.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8806 -0.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2433 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2433 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8806 0.9002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8806 0.9002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8581 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8581 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1495 -0.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1495 -0.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7322 -0.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7322 -0.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0236 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0236 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7322 0.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7322 0.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1495 0.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1495 0.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6052 0.4010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6052 0.4010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2405 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2405 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1847 1.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1847 1.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8992 1.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8992 1.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9683 -0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9683 -0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1714 -0.6738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1714 -0.6738 0.0000 O 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 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | 3 9 1 0 0 0 0 | + | 3 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 4 1 0 0 0 0 | + | 12 4 1 0 0 0 0 |
| − | 11 13 1 6 0 0 0 | + | 11 13 1 6 0 0 0 |
| − | 9 14 2 0 0 0 0 | + | 9 14 2 0 0 0 0 |
| − | 13 15 2 0 0 0 0 | + | 13 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 13 1 0 0 0 0 | + | 19 13 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 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 17 1 0 0 0 0 | + | 22 17 1 0 0 0 0 |
| − | 21 23 1 4 0 0 0 | + | 21 23 1 4 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 18 30 1 0 0 0 0 | + | 18 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 20 33 1 4 0 0 0 | + | 20 33 1 4 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 35 -5.8773 6.6012 | + | M SBV 1 35 -5.8773 6.6012 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 37 | + | M SBL 2 1 37 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 37 -6.2422 5.2084 | + | M SBV 2 37 -6.2422 5.2084 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FACNN0002 | + | ID FL2FACNN0002 |
| − | KNApSAcK_ID C00008376 | + | KNApSAcK_ID C00008376 |
| − | NAME Silyhermin | + | NAME Silyhermin |
| − | CAS_RN 96238-88-9 | + | CAS_RN 96238-88-9 |
| − | FORMULA C25H22O9 | + | FORMULA C25H22O9 |
| − | EXACTMASS 466.126382302 | + | EXACTMASS 466.126382302 |
| − | AVERAGEMASS 466.43678 | + | AVERAGEMASS 466.43678 |
| − | SMILES c(c(O)5)c(O)c(C(=O)1)c(c5)OC(c(c4)cc(C2CO)c(c4O)OC(c(c3)ccc(O)c3OC)2)C1 | + | SMILES c(c(O)5)c(O)c(C(=O)1)c(c5)OC(c(c4)cc(C2CO)c(c4O)OC(c(c3)ccc(O)c3OC)2)C1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 38 0 0 0 0 0 0 0 0999 V2000
-3.3788 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3370 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3370 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3788 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -1.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8992 0.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8162 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2953 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2953 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8162 0.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7749 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8162 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2405 -0.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2938 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2938 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2405 1.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7749 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8806 -0.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2433 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8806 0.9002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8581 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1495 -0.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7322 -0.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0236 0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7322 0.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1495 0.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6052 0.4010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2405 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1847 1.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8992 1.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9683 -0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1714 -0.6738 0.0000 O 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 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
6 8 1 0 0 0 0
3 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 4 1 0 0 0 0
11 13 1 6 0 0 0
9 14 2 0 0 0 0
13 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 13 1 0 0 0 0
16 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 17 1 0 0 0 0
21 23 1 4 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
26 29 1 0 0 0 0
18 30 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
20 33 1 4 0 0 0
33 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 35
M SMT 1 OCH3
M SBV 1 35 -5.8773 6.6012
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 37
M SMT 2 CH2OH
M SBV 2 37 -6.2422 5.2084
S SKP 8
ID FL2FACNN0002
KNApSAcK_ID C00008376
NAME Silyhermin
CAS_RN 96238-88-9
FORMULA C25H22O9
EXACTMASS 466.126382302
AVERAGEMASS 466.43678
SMILES c(c(O)5)c(O)c(C(=O)1)c(c5)OC(c(c4)cc(C2CO)c(c4O)OC(c(c3)ccc(O)c3OC)2)C1
M END
