Mol:FL3F2CNS0003
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 26 0 0 0 0 0 0 0 0999 V2000 | + | 23 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0748 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0748 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0748 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0748 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5185 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5185 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9622 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9622 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9622 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9622 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5185 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5185 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4059 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4059 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1504 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1504 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1504 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1504 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4059 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4059 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4059 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4059 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7065 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7065 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2735 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2735 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8405 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8405 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8405 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8405 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2735 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2735 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7065 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7065 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5521 0.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5521 0.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4472 0.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4472 0.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7892 0.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7892 0.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3940 1.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3940 1.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7892 -0.4703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7892 -0.4703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0748 -0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0748 -0.8828 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 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 25 | + | M SBL 1 1 25 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 25 -7.4051 3.1008 | + | M SBV 1 25 -7.4051 3.1008 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F2CNS0003 | + | ID FL3F2CNS0003 |
| − | KNApSAcK_ID C00004000 | + | KNApSAcK_ID C00004000 |
| − | NAME Prosogerin A | + | NAME Prosogerin A |
| − | CAS_RN 70927-54-7 | + | CAS_RN 70927-54-7 |
| − | FORMULA C17H12O6 | + | FORMULA C17H12O6 |
| − | EXACTMASS 312.063388116 | + | EXACTMASS 312.063388116 |
| − | AVERAGEMASS 312.27358 | + | AVERAGEMASS 312.27358 |
| − | SMILES COc(c1)c(O)cc(O2)c1C(=O)C=C2c(c3)cc(O4)c(OC4)c3 | + | SMILES COc(c1)c(O)cc(O2)c1C(=O)C=C2c(c3)cc(O4)c(OC4)c3 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-2.0748 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0748 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5185 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9622 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9622 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5185 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4059 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1504 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1504 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4059 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4059 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7065 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2735 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8405 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8405 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2735 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7065 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5521 0.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4472 0.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7892 0.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3940 1.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7892 -0.4703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0748 -0.8828 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
7 11 2 0 0 0 0
9 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
18 1 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
2 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 25
M SMT 1 ^OCH3
M SBV 1 25 -7.4051 3.1008
S SKP 8
ID FL3F2CNS0003
KNApSAcK_ID C00004000
NAME Prosogerin A
CAS_RN 70927-54-7
FORMULA C17H12O6
EXACTMASS 312.063388116
AVERAGEMASS 312.27358
SMILES COc(c1)c(O)cc(O2)c1C(=O)C=C2c(c3)cc(O4)c(OC4)c3
M END
