Mol:FL1DA9NR0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.1585 1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1585 1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1585 0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1585 0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6232 0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6232 0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0880 0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0880 0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0880 1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0880 1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6232 1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6232 1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5909 0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5909 0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1265 0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1265 0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6621 0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6621 0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1989 0.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1989 0.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6621 -0.2784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6621 -0.2784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1989 1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1989 1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2846 1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2846 1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7681 1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7681 1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7681 0.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7681 0.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2846 0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2846 0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2846 -0.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2846 -0.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2516 1.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2516 1.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7190 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7190 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1755 0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1755 0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6319 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6319 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6319 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6319 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1755 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1755 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7190 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7190 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0880 0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0880 0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3033 -0.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3033 -0.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8877 -0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8877 -0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3033 -1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3033 -1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6824 1.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6824 1.3613 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 |
| − | 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 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 19 15 1 6 0 0 0 | + | 19 15 1 6 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 24 26 1 1 0 0 0 | + | 24 26 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 12 29 1 0 0 0 0 | + | 12 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NR0004 | + | ID FL1DA9NR0004 |
| − | KNApSAcK_ID C00008015 | + | KNApSAcK_ID C00008015 |
| − | NAME (+)-Linderatin | + | NAME (+)-Linderatin |
| − | CAS_RN 94530-80-0 | + | CAS_RN 94530-80-0 |
| − | FORMULA C25H30O4 | + | FORMULA C25H30O4 |
| − | EXACTMASS 394.21440944799997 | + | EXACTMASS 394.21440944799997 |
| − | AVERAGEMASS 394.50329999999997 | + | AVERAGEMASS 394.50329999999997 |
| − | SMILES O=C(c(c(O)2)c(cc(c(C(C3C(C)C)C=C(C)CC3)2)O)O)CCc(c1)cccc1 | + | SMILES O=C(c(c(O)2)c(cc(c(C(C3C(C)C)C=C(C)CC3)2)O)O)CCc(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
2.1585 1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1585 0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6232 0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0880 0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0880 1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6232 1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5909 0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1265 0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6621 0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1989 0.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6621 -0.2784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1989 1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2846 1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7681 1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7681 0.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2846 0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2846 -0.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2516 1.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7190 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1755 0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6319 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6319 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1755 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7190 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0880 0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3033 -0.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8877 -0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3033 -1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6824 1.3613 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
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 7 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
14 18 1 0 0 0 0
19 15 1 6 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
21 25 1 0 0 0 0
24 26 1 1 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
12 29 1 0 0 0 0
S SKP 8
ID FL1DA9NR0004
KNApSAcK_ID C00008015
NAME (+)-Linderatin
CAS_RN 94530-80-0
FORMULA C25H30O4
EXACTMASS 394.21440944799997
AVERAGEMASS 394.50329999999997
SMILES O=C(c(c(O)2)c(cc(c(C(C3C(C)C)C=C(C)CC3)2)O)O)CCc(c1)cccc1
M END
