Mol:FLIDBANP0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 30 0 0 0 0 0 0 0 0999 V2000 | + | 26 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4954 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4954 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4954 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4954 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9391 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9391 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3828 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3828 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3828 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3828 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9391 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9391 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1736 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1736 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7299 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7299 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7299 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7299 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1736 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1736 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2859 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2859 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2859 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2859 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8807 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8807 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4755 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4755 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4755 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4755 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8807 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8807 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1794 -0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1794 -0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0517 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0517 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6080 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6080 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6080 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6080 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0517 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0517 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6080 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6080 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0697 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0697 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0697 -1.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0697 -1.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3755 -0.3956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3755 -0.3956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6610 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6610 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 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 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 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 29 -5.8670 4.2392 | + | M SBV 1 29 -5.8670 4.2392 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDBANP0001 | + | ID FLIDBANP0001 |
| − | KNApSAcK_ID C00009653 | + | KNApSAcK_ID C00009653 |
| − | NAME Edulenanol | + | NAME Edulenanol |
| − | CAS_RN 76165-14-5 | + | CAS_RN 76165-14-5 |
| − | FORMULA C21H20O5 | + | FORMULA C21H20O5 |
| − | EXACTMASS 352.13107375 | + | EXACTMASS 352.13107375 |
| − | AVERAGEMASS 352.3805 | + | AVERAGEMASS 352.3805 |
| − | SMILES O(C)c(c41)c(C=5)c(OC(C5)(C)C)cc1OCC(C34)c(c2)c(O3)cc(O)c2 | + | SMILES O(C)c(c41)c(C=5)c(OC(C5)(C)C)cc1OCC(C34)c(c2)c(O3)cc(O)c2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 30 0 0 0 0 0 0 0 0999 V2000
-1.4954 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4954 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9391 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3828 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3828 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9391 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1736 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7299 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7299 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1736 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8807 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4755 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4755 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8807 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1794 -0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0517 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6080 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6080 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0517 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6080 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0697 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0697 -1.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3755 -0.3956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6610 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 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
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 2 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
14 24 1 0 0 0 0
3 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 29
M SMT 1 OCH3
M SBV 1 29 -5.8670 4.2392
S SKP 8
ID FLIDBANP0001
KNApSAcK_ID C00009653
NAME Edulenanol
CAS_RN 76165-14-5
FORMULA C21H20O5
EXACTMASS 352.13107375
AVERAGEMASS 352.3805
SMILES O(C)c(c41)c(C=5)c(OC(C5)(C)C)cc1OCC(C34)c(c2)c(O3)cc(O)c2
M END
