Mol:FL3F2CNS0001
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 |
| − | -2.2410 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2410 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2410 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2410 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6847 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1284 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1284 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1284 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1284 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6847 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6847 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5721 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5721 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0158 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0158 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0158 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0158 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5721 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5721 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5721 -1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5721 -1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5403 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5403 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1072 -0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1072 -0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6742 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6742 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6742 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6742 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1072 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1072 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5403 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5403 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7971 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7971 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1072 1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1072 1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9555 -0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9555 -0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2410 -1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2410 -1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2410 1.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2410 1.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9555 0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9555 0.6439 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 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 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 22 -5.4058 2.5261 | + | M SBV 1 22 -5.4058 2.5261 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 24 -4.1245 2.7619 | + | M SBV 2 24 -4.1245 2.7619 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F2CNS0001 | + | ID FL3F2CNS0001 |
| − | KNApSAcK_ID C00003872 | + | KNApSAcK_ID C00003872 |
| − | NAME Abrectorin | + | NAME Abrectorin |
| − | CAS_RN 76575-03-6 | + | CAS_RN 76575-03-6 |
| − | FORMULA C17H14O6 | + | FORMULA C17H14O6 |
| − | EXACTMASS 314.07903818 | + | EXACTMASS 314.07903818 |
| − | AVERAGEMASS 314.28945999999996 | + | AVERAGEMASS 314.28945999999996 |
| − | SMILES COc(c3)c(O)cc(c3)C(=C1)Oc(c2)c(cc(OC)c(O)2)C(=O)1 | + | SMILES COc(c3)c(O)cc(c3)C(=C1)Oc(c2)c(cc(OC)c(O)2)C(=O)1 |
M END | M END | ||
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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
-2.2410 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1284 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1284 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0158 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0158 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 -1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 -0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6742 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6742 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9555 -0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 -1.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2410 1.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9555 0.6439 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
1 18 1 0 0 0 0
16 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
15 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 20 21
M SBL 1 1 22
M SMT 1 ^OCH3
M SBV 1 22 -5.4058 2.5261
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SBV 2 24 -4.1245 2.7619
S SKP 8
ID FL3F2CNS0001
KNApSAcK_ID C00003872
NAME Abrectorin
CAS_RN 76575-03-6
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c3)c(O)cc(c3)C(=C1)Oc(c2)c(cc(OC)c(O)2)C(=O)1
M END
