Mol:FL1DHXNF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7040 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7040 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7040 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7040 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1500 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1500 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5960 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5960 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5960 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5960 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1500 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1500 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0423 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0423 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5102 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5102 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0615 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0615 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6117 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6117 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1501 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1501 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6884 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6884 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6884 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6884 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1501 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1501 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6117 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6117 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0423 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0423 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1500 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1500 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3124 0.8372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3124 0.8372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6884 0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6884 0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3124 -0.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3124 -0.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5102 0.6358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5102 0.6358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 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 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DHXNF0001 | + | ID FL1DHXNF0001 |
| − | KNApSAcK_ID C00007960 | + | KNApSAcK_ID C00007960 |
| − | NAME Castillene E | + | NAME Castillene E |
| − | CAS_RN 126585-64-6 | + | CAS_RN 126585-64-6 |
| − | FORMULA C17H14O4 | + | FORMULA C17H14O4 |
| − | EXACTMASS 282.089208936 | + | EXACTMASS 282.089208936 |
| − | AVERAGEMASS 282.29066 | + | AVERAGEMASS 282.29066 |
| − | SMILES OC(Cc(c3)cccc3)C(=O)c(c1)c(O)c(c2)c(oc2)c1 | + | SMILES OC(Cc(c3)cccc3)C(=O)c(c1)c(O)c(c2)c(oc2)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.7040 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7040 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1500 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5960 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5960 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1500 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0423 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5102 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0615 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6117 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1501 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6884 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6884 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1501 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6117 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0423 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1500 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3124 0.8372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6884 0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3124 -0.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5102 0.6358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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 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
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 2 1 0 0 0 0
8 21 1 0 0 0 0
S SKP 8
ID FL1DHXNF0001
KNApSAcK_ID C00007960
NAME Castillene E
CAS_RN 126585-64-6
FORMULA C17H14O4
EXACTMASS 282.089208936
AVERAGEMASS 282.29066
SMILES OC(Cc(c3)cccc3)C(=O)c(c1)c(O)c(c2)c(oc2)c1
M END
