Mol:FL64A9NF0001
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 |
| − | -1.3687 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3687 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3687 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3687 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8124 -1.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8124 -1.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2561 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2561 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2561 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2561 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8124 0.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8124 0.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3002 -1.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3002 -1.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8565 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8565 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8565 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8565 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3002 0.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3002 0.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4126 0.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4126 0.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9796 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9796 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5466 0.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5466 0.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5466 0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5466 0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9796 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9796 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4126 0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4126 0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3002 -1.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3002 -1.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9459 0.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9459 0.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5848 0.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5848 0.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8460 0.1688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8460 0.1688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9058 1.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9058 1.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5466 1.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5466 1.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5855 1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5855 1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2488 -1.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2488 -1.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5343 -1.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5343 -1.7976 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 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 2 0 0 0 0 | + | 21 23 2 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 -8.5660 3.8066 | + | M SBV 1 27 -8.5660 3.8066 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL64A9NF0001 | + | ID FL64A9NF0001 |
| − | KNApSAcK_ID C00008984 | + | KNApSAcK_ID C00008984 |
| − | NAME Hildgardtol A | + | NAME Hildgardtol A |
| − | CAS_RN 104799-50-0 | + | CAS_RN 104799-50-0 |
| − | FORMULA C21H22O4 | + | FORMULA C21H22O4 |
| − | EXACTMASS 338.151809192 | + | EXACTMASS 338.151809192 |
| − | AVERAGEMASS 338.39698 | + | AVERAGEMASS 338.39698 |
| − | SMILES O(C3c(c4)cccc4)c(c12)c(C(O)C3)c(cc1OC(C2)C(C)=C)OC | + | SMILES O(C3c(c4)cccc4)c(c12)c(C(O)C3)c(cc1OC(C2)C(C)=C)OC |
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
-1.3687 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3687 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8124 -1.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2561 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2561 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8124 0.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3002 -1.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8565 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8565 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3002 0.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4126 0.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9796 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5466 0.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5466 0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9796 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4126 0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3002 -1.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9459 0.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5848 0.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8460 0.1688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9058 1.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5466 1.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5855 1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2488 -1.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5343 -1.7976 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 1 0 0 0 0
19 20 1 0 0 0 0
20 1 1 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 2 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 -8.5660 3.8066
S SKP 8
ID FL64A9NF0001
KNApSAcK_ID C00008984
NAME Hildgardtol A
CAS_RN 104799-50-0
FORMULA C21H22O4
EXACTMASS 338.151809192
AVERAGEMASS 338.39698
SMILES O(C3c(c4)cccc4)c(c12)c(C(O)C3)c(cc1OC(C2)C(C)=C)OC
M END
