Mol:FLID1LNS0004
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 25 0 0 0 0 0 0 0 0999 V2000 | + | 22 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2825 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2825 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2825 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2825 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7262 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1699 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1699 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1699 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1699 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7262 1.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 1.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6136 -0.1384 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.6136 -0.1384 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0573 0.1827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0573 0.1827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0573 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0573 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6136 1.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6136 1.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4988 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4988 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4988 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4988 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0936 -1.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0936 -1.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6883 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6883 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6883 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6883 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0936 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0936 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6119 -0.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6119 -0.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1000 0.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1000 0.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5543 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5543 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4203 -1.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4203 -1.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6398 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6398 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1398 2.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1398 2.3099 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 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 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 -2.6398 1.4439 | + | M SVB 2 24 -2.6398 1.4439 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 1.9253 -1.0314 | + | M SVB 1 22 1.9253 -1.0314 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1LNS0004 | + | ID FLID1LNS0004 |
| − | KNApSAcK_ID C00009993 | + | KNApSAcK_ID C00009993 |
| − | NAME Fruticarpin;7-Hydroxy-3,9-dimethoxypterocarpan | + | NAME Fruticarpin;7-Hydroxy-3,9-dimethoxypterocarpan |
| − | CAS_RN 89647-66-5 | + | CAS_RN 89647-66-5 |
| − | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
| − | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
| − | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
| − | SMILES COc(c4)cc(O3)c(c4)C(O1)C(C3)c(c(O)2)c(cc(OC)c2)1 | + | SMILES COc(c4)cc(O3)c(c4)C(O1)C(C3)c(c(O)2)c(cc(OC)c2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-2.2825 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2825 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 1.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 -0.1384 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0573 0.1827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0573 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 1.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 -1.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6119 -0.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1000 0.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5543 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4203 -1.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6398 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1398 2.3099 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
8 11 1 0 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 0 0 0 0
16 18 1 0 0 0 0
12 17 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -2.6398 1.4439
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 1.9253 -1.0314
S SKP 8
ID FLID1LNS0004
KNApSAcK_ID C00009993
NAME Fruticarpin;7-Hydroxy-3,9-dimethoxypterocarpan
CAS_RN 89647-66-5
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c4)cc(O3)c(c4)C(O1)C(C3)c(c(O)2)c(cc(OC)c2)1
M END
