Mol:FL1DA9NR0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.1585 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1585 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1585 0.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1585 0.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6232 0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6232 0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0880 0.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0880 0.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0880 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0880 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6232 1.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6232 1.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5909 0.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5909 0.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1265 0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1265 0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6621 0.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6621 0.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1989 0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1989 0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6621 -0.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6621 -0.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1989 0.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1989 0.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2846 1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2846 1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7681 0.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7681 0.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7681 0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7681 0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2846 0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2846 0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2846 -0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2846 -0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7190 -0.2842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.7190 -0.2842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.1755 -0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1755 -0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6319 -0.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6319 -0.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6319 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6319 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1755 -1.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1755 -1.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7190 -0.8113 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -1.7190 -0.8113 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.0880 -0.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0880 -0.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3033 -1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3033 -1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8877 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8877 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3033 -1.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3033 -1.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6824 1.1915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6824 1.1915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1254 1.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1254 1.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6254 2.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6254 2.3972 0.0000 C 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 |
| − | 18 15 1 6 0 0 0 | + | 18 15 1 6 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 21 1 0 0 0 0 | + | 20 21 1 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 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 23 25 1 1 0 0 0 | + | 23 25 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 12 28 1 0 0 0 0 | + | 12 28 1 0 0 0 0 |
| − | 14 29 1 0 0 0 0 | + | 14 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 31 -1.1254 1.5312 | + | M SVB 1 31 -1.1254 1.5312 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NR0005 | + | ID FL1DA9NR0005 |
| − | KNApSAcK_ID C00008016 | + | KNApSAcK_ID C00008016 |
| − | NAME Methyllinderatin | + | NAME Methyllinderatin |
| − | CAS_RN 120948-03-0 | + | CAS_RN 120948-03-0 |
| − | FORMULA C26H32O4 | + | FORMULA C26H32O4 |
| − | EXACTMASS 408.23005951199997 | + | EXACTMASS 408.23005951199997 |
| − | AVERAGEMASS 408.52987999999993 | + | AVERAGEMASS 408.52987999999993 |
| − | SMILES c(c(O)1)([C@H]([C@H]3C(C)C)C=C(CC3)C)c(cc(O)c(C(=O)CCc(c2)cccc2)1)OC | + | SMILES c(c(O)1)([C@H]([C@H]3C(C)C)C=C(CC3)C)c(cc(O)c(C(=O)CCc(c2)cccc2)1)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
2.1585 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1585 0.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6232 0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0880 0.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0880 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6232 1.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5909 0.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1265 0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6621 0.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1989 0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6621 -0.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1989 0.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2846 1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7681 0.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7681 0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2846 0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2846 -0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7190 -0.2842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1755 -0.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6319 -0.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6319 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1755 -1.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7190 -0.8113 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0880 -0.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3033 -1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8877 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3033 -1.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6824 1.1915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1254 1.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6254 2.3972 0.0000 C 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
18 15 1 6 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 18 1 0 0 0 0
20 24 1 0 0 0 0
23 25 1 1 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
12 28 1 0 0 0 0
14 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 -1.1254 1.5312
S SKP 8
ID FL1DA9NR0005
KNApSAcK_ID C00008016
NAME Methyllinderatin
CAS_RN 120948-03-0
FORMULA C26H32O4
EXACTMASS 408.23005951199997
AVERAGEMASS 408.52987999999993
SMILES c(c(O)1)([C@H]([C@H]3C(C)C)C=C(CC3)C)c(cc(O)c(C(=O)CCc(c2)cccc2)1)OC
M END
