Mol:FLIBALNM0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0045 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0045 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 0.0451 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.2207 0.0451 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1826 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1826 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5606 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5606 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3617 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3617 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8616 2.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8616 2.1723 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -2.3617 1.3062 | + | M SVB 1 24 -2.3617 1.3062 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIBALNM0001 | + | ID FLIBALNM0001 |
| − | KNApSAcK_ID C00009556 | + | KNApSAcK_ID C00009556 |
| − | NAME Ougenin | + | NAME Ougenin |
| − | CAS_RN 1236-43-7 | + | CAS_RN 1236-43-7 |
| − | FORMULA C17H16O6 | + | FORMULA C17H16O6 |
| − | EXACTMASS 316.094688244 | + | EXACTMASS 316.094688244 |
| − | AVERAGEMASS 316.30534 | + | AVERAGEMASS 316.30534 |
| − | SMILES COc(c3)c(C)c(O)c(c23)C(=O)C(CO2)c(c1)c(O)cc(O)c1 | + | SMILES COc(c3)c(C)c(O)c(c23)C(=O)C(CO2)c(c1)c(O)cc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.0045 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0045 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 0.0451 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2207 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1826 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3617 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8616 2.1723 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
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
7 17 2 0 0 0 0
12 18 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
2 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -2.3617 1.3062
S SKP 8
ID FLIBALNM0001
KNApSAcK_ID C00009556
NAME Ougenin
CAS_RN 1236-43-7
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c3)c(C)c(O)c(c23)C(=O)C(CO2)c(c1)c(O)cc(O)c1
M END
