Mol:FL64A9NP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3924 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3924 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3924 -0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3924 -0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8361 -0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8361 -0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2798 -0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2798 -0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2798 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2798 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8361 0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8361 0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2765 -0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2765 -0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8328 -0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8328 -0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8328 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8328 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2765 0.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2765 0.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3889 0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3889 0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9559 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9559 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5229 0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5229 0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5229 0.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5229 0.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9559 1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9559 1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3889 0.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3889 0.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2765 -1.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2765 -1.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8361 0.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8361 0.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3924 1.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3924 1.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9487 0.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9487 0.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9487 0.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9487 0.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3020 1.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3020 1.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5229 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5229 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2725 -1.1090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2725 -1.1090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5580 -1.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5580 -1.5215 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 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 7 17 1 1 0 0 0 | + | 7 17 1 1 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 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 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 27 -8.5897 4.0827 | + | M SBV 1 27 -8.5897 4.0827 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL64A9NP0001 | + | ID FL64A9NP0001 |
| − | KNApSAcK_ID C00008986 | + | KNApSAcK_ID C00008986 |
| − | NAME Hildgardtol B | + | NAME Hildgardtol B |
| − | CAS_RN 104777-98-2 | + | CAS_RN 104777-98-2 |
| − | FORMULA C21H22O4 | + | FORMULA C21H22O4 |
| − | EXACTMASS 338.151809192 | + | EXACTMASS 338.151809192 |
| − | AVERAGEMASS 338.39698 | + | AVERAGEMASS 338.39698 |
| − | SMILES COc(c42)cc(O1)c(c2OC(CC4O)c(c3)cccc3)C=CC(C)(C)1 | + | SMILES COc(c42)cc(O1)c(c2OC(CC4O)c(c3)cccc3)C=CC(C)(C)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-1.3924 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3924 -0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8361 -0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2798 -0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2798 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8361 0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2765 -0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8328 -0.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8328 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2765 0.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3889 0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9559 0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5229 0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5229 0.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9559 1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3889 0.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2765 -1.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8361 0.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3924 1.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9487 0.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9487 0.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3020 1.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5229 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2725 -1.1090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5580 -1.5215 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
9 11 1 6 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
7 17 1 1 0 0 0
6 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 1 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SBV 1 27 -8.5897 4.0827
S SKP 8
ID FL64A9NP0001
KNApSAcK_ID C00008986
NAME Hildgardtol B
CAS_RN 104777-98-2
FORMULA C21H22O4
EXACTMASS 338.151809192
AVERAGEMASS 338.39698
SMILES COc(c42)cc(O1)c(c2OC(CC4O)c(c3)cccc3)C=CC(C)(C)1
M END
