Mol:FL3FECNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -1.6890 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6890 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6890 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6890 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1886 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1886 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6881 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6881 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6881 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6881 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1886 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1886 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1877 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1877 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3128 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3128 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3128 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3128 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1877 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1877 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8129 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8129 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3432 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3432 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8736 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8736 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8736 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8736 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3432 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3432 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8129 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8129 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1886 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1886 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1877 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1877 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4035 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4035 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4035 0.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4035 0.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0463 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0463 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5464 1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5464 1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4035 -0.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4035 -0.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3888 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3888 -0.1649 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 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 -2.4035 -0.3356 | + | M SVB 2 25 -2.4035 -0.3356 |
| − | 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 -2.0463 0.7372 | + | M SVB 1 23 -2.0463 0.7372 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FECNS0001 | + | ID FL3FECNS0001 |
| − | KNApSAcK_ID C00001033 | + | KNApSAcK_ID C00001033 |
| − | NAME Cirsiliol | + | NAME Cirsiliol |
| − | CAS_RN 34334-69-5 | + | CAS_RN 34334-69-5 |
| − | FORMULA C17H14O7 | + | FORMULA C17H14O7 |
| − | EXACTMASS 330.073952802 | + | EXACTMASS 330.073952802 |
| − | AVERAGEMASS 330.28886 | + | AVERAGEMASS 330.28886 |
| − | SMILES COc(c1)c(OC)c(O)c(C(=O)3)c1OC(=C3)c(c2)cc(O)c(O)c2 | + | SMILES COc(c1)c(OC)c(O)c(C(=O)3)c1OC(=C3)c(c2)cc(O)c(O)c2 |
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
-1.6890 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6890 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1886 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6881 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6881 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1886 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1877 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3128 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3128 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1877 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8129 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3432 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8736 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8736 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3432 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8129 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1886 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1877 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4035 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4035 0.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0463 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5464 1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4035 -0.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3888 -0.1649 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 2 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
3 17 1 0 0 0 0
7 18 2 0 0 0 0
14 19 1 0 0 0 0
13 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
2 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 -2.4035 -0.3356
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 -2.0463 0.7372
S SKP 8
ID FL3FECNS0001
KNApSAcK_ID C00001033
NAME Cirsiliol
CAS_RN 34334-69-5
FORMULA C17H14O7
EXACTMASS 330.073952802
AVERAGEMASS 330.28886
SMILES COc(c1)c(OC)c(O)c(C(=O)3)c1OC(=C3)c(c2)cc(O)c(O)c2
M END
