Mol:FL2F99NI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6004 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6004 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6004 -0.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6004 -0.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 -0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 -0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4878 -0.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4878 -0.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4878 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4878 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 0.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 0.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0685 -0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0685 -0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6248 -0.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6248 -0.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6248 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6248 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0685 0.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0685 0.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1809 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1809 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7479 0.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7479 0.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3149 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3149 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3149 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3149 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7479 1.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7479 1.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1809 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1809 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0685 -0.9156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0685 -0.9156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 -1.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 -1.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5506 -1.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5506 -1.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0607 -1.0118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0607 -1.0118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5506 -1.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5506 -1.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4880 -1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4880 -1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8568 -1.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8568 -1.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3149 0.0408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3149 0.0408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6004 -0.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6004 -0.3717 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 19 21 2 0 0 0 0 | + | 19 21 2 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 2 24 1 0 0 0 0 | + | 2 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 26 -6.2295 3.0963 | + | M SBV 1 26 -6.2295 3.0963 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F99NI0001 | + | ID FL2F99NI0001 |
| − | KNApSAcK_ID C00008129 | + | KNApSAcK_ID C00008129 |
| − | NAME Falciformin | + | NAME Falciformin |
| − | CAS_RN 102275-31-0 | + | CAS_RN 102275-31-0 |
| − | FORMULA C21H22O4 | + | FORMULA C21H22O4 |
| − | EXACTMASS 338.151809192 | + | EXACTMASS 338.151809192 |
| − | AVERAGEMASS 338.39698 | + | AVERAGEMASS 338.39698 |
| − | SMILES COc(c3)c(c(C(=O)2)c(c3)OC(C2)c(c1)cccc1)C(C(=C)O)(C)C | + | SMILES COc(c3)c(c(C(=O)2)c(c3)OC(C2)c(c1)cccc1)C(C(=C)O)(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.6004 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6004 -0.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4878 -0.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4878 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 0.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 -0.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 0.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 0.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 1.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -0.9156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -1.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5506 -1.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0607 -1.0118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5506 -1.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4880 -1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8568 -1.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3149 0.0408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6004 -0.3717 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 1 0 0 0 0
9 10 1 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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
19 21 2 0 0 0 0
18 22 1 0 0 0 0
18 23 1 0 0 0 0
2 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 ^OCH3
M SBV 1 26 -6.2295 3.0963
S SKP 8
ID FL2F99NI0001
KNApSAcK_ID C00008129
NAME Falciformin
CAS_RN 102275-31-0
FORMULA C21H22O4
EXACTMASS 338.151809192
AVERAGEMASS 338.39698
SMILES COc(c3)c(c(C(=O)2)c(c3)OC(C2)c(c1)cccc1)C(C(=C)O)(C)C
M END
