Mol:FL1C2CNS0002
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 |
| − | -2.4227 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4227 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4227 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4227 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8664 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8664 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3101 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3101 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3101 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3101 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8664 0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8664 0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7538 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7538 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1975 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1975 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3586 -0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3586 -0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9147 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9147 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4757 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4757 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0367 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0367 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0367 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0367 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4757 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4757 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9147 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9147 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7538 -1.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7538 -1.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8664 -1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8664 -1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0336 0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0336 0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6528 -0.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6528 -0.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0336 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0336 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6528 0.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6528 0.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5883 1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5883 1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8738 0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8738 0.8374 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 11 2 0 0 0 0 | + | 10 11 2 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 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 13 1 0 0 0 0 | + | 21 13 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 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 SBV 1 24 -5.7705 4.2081 | + | M SBV 1 24 -5.7705 4.2081 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C2CNS0002 | + | ID FL1C2CNS0002 |
| − | KNApSAcK_ID C00007028 | + | KNApSAcK_ID C00007028 |
| − | NAME Prosogerin B | + | NAME Prosogerin B |
| − | CAS_RN 70981-47-4 | + | CAS_RN 70981-47-4 |
| − | FORMULA C17H14O6 | + | FORMULA C17H14O6 |
| − | EXACTMASS 314.07903818 | + | EXACTMASS 314.07903818 |
| − | AVERAGEMASS 314.28945999999996 | + | AVERAGEMASS 314.28945999999996 |
| − | SMILES COc(c1)c(O)cc(O)c1C(=O)C=Cc(c2)cc(O3)c(OC3)c2 | + | SMILES COc(c1)c(O)cc(O)c1C(=O)C=Cc(c2)cc(O3)c(OC3)c2 |
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
-2.4227 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4227 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8664 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3101 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3101 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8664 0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7538 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1975 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3586 -0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9147 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4757 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0367 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0367 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4757 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9147 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7538 -1.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8664 -1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0336 0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6528 -0.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0336 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6528 0.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5883 1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8738 0.8374 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 11 2 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 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
12 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 13 1 0 0 0 0
6 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 SBV 1 24 -5.7705 4.2081
S SKP 8
ID FL1C2CNS0002
KNApSAcK_ID C00007028
NAME Prosogerin B
CAS_RN 70981-47-4
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c1)c(O)cc(O)c1C(=O)C=Cc(c2)cc(O3)c(OC3)c2
M END
