Mol:FL1DHXNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 24 0 0 0 0 0 0 0 0999 V2000 | + | 23 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.6440 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6440 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6440 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6440 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0900 -0.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0900 -0.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5360 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5360 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5360 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5360 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0900 0.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0900 0.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9823 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9823 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4297 -0.1511 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.4297 -0.1511 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.1216 -0.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1216 -0.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6717 -0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6717 -0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2101 -0.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2101 -0.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7485 -0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7485 -0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7485 0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7485 0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2101 0.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2101 0.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6717 0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6717 0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9823 -1.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9823 -1.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4297 0.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4297 0.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0012 1.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0012 1.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5011 1.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5011 1.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5276 -0.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5276 -0.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8131 -1.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8131 -1.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2867 0.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2867 0.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0012 0.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0012 0.3682 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 |
| − | 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 |
| − | 8 17 1 0 0 0 0 | + | 8 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 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 22 23 | + | M SAL 3 2 22 23 |
| − | M SBL 3 1 23 | + | M SBL 3 1 23 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 23 2.2867 0.7807 | + | M SVB 3 23 2.2867 0.7807 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 21 | + | M SBL 2 1 21 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 21 -2.5276 -0.6301 | + | M SVB 2 21 -2.5276 -0.6301 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 19 | + | M SBL 1 1 19 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 19 -3.0012 1.1081 | + | M SVB 1 19 -3.0012 1.1081 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DHXNS0001 | + | ID FL1DHXNS0001 |
| − | KNApSAcK_ID C00000981 | + | KNApSAcK_ID C00000981 |
| − | NAME O-Methylodoratol | + | NAME O-Methylodoratol |
| − | CAS_RN 94943-13-2 | + | CAS_RN 94943-13-2 |
| − | FORMULA C18H20O5 | + | FORMULA C18H20O5 |
| − | EXACTMASS 316.13107375 | + | EXACTMASS 316.13107375 |
| − | AVERAGEMASS 316.3484 | + | AVERAGEMASS 316.3484 |
| − | SMILES c(c(C(=O)C(O)Cc(c2)ccc(OC)c2)1)(OC)cc(OC)cc1 | + | SMILES c(c(C(=O)C(O)Cc(c2)ccc(OC)c2)1)(OC)cc(OC)cc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
-2.6440 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6440 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0900 -0.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5360 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5360 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0900 0.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9823 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4297 -0.1511 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.1216 -0.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6717 -0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2101 -0.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7485 -0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7485 0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2101 0.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6717 0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9823 -1.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4297 0.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0012 1.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5011 1.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5276 -0.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8131 -1.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2867 0.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0012 0.3682 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
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
8 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 23
M SMT 3 OCH3
M SVB 3 23 2.2867 0.7807
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 21
M SMT 2 OCH3
M SVB 2 21 -2.5276 -0.6301
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 19
M SMT 1 OCH3
M SVB 1 19 -3.0012 1.1081
S SKP 8
ID FL1DHXNS0001
KNApSAcK_ID C00000981
NAME O-Methylodoratol
CAS_RN 94943-13-2
FORMULA C18H20O5
EXACTMASS 316.13107375
AVERAGEMASS 316.3484
SMILES c(c(C(=O)C(O)Cc(c2)ccc(OC)c2)1)(OC)cc(OC)cc1
M END
