Mol:FLND49NS0001
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 23 0 0 0 0 0 0 0 0999 V2000 | + | 22 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9335 1.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9335 1.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3772 1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3772 1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1789 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1789 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1789 0.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1789 0.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7556 0.0247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.7556 0.0247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 1.3323 0.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3323 0.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3323 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3323 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0423 1.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0423 1.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9335 0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9335 0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3772 0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3772 0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7556 -0.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7556 -0.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2027 -0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2027 -0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2027 -1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2027 -1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7556 -1.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7556 -1.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3085 -1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3085 -1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3085 -0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3085 -0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3888 0.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3888 0.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3888 -0.3409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3888 -0.3409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2908 1.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2908 1.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7908 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7908 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0992 1.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0992 1.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3373 2.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3373 2.8174 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 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 6 0 0 0 | + | 5 6 1 6 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 8 3 2 0 0 0 0 | + | 8 3 2 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 2 0 0 0 0 | + | 10 4 2 0 0 0 0 |
| − | 5 11 1 0 0 0 0 | + | 5 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 |
| − | 9 17 2 0 0 0 0 | + | 9 17 2 0 0 0 0 |
| − | 5 18 1 1 0 0 0 | + | 5 18 1 1 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 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 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 -0.0992 1.9177 | + | M SVB 2 22 -0.0992 1.9177 |
| − | 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 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 -1.2908 1.6423 | + | M SVB 1 20 -1.2908 1.6423 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLND49NS0001 | + | ID FLND49NS0001 |
| − | KNApSAcK_ID C00010255 | + | KNApSAcK_ID C00010255 |
| − | NAME (R)-3,4-Dimethoxydalbergione | + | NAME (R)-3,4-Dimethoxydalbergione |
| − | CAS_RN 3755-64-4 | + | CAS_RN 3755-64-4 |
| − | FORMULA C17H16O4 | + | FORMULA C17H16O4 |
| − | EXACTMASS 284.104859 | + | EXACTMASS 284.104859 |
| − | AVERAGEMASS 284.30654 | + | AVERAGEMASS 284.30654 |
| − | SMILES COc(c(=O)2)c(OC)c(=O)c(c2)[C@]([H])(C=C)c(c1)cccc1 | + | SMILES COc(c(=O)2)c(OC)c(=O)c(c2)[C@]([H])(C=C)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-0.9335 1.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3772 1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1789 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1789 0.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 0.0247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3323 0.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3323 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0423 1.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9335 0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3772 0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 -0.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2027 -0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2027 -1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 -1.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3085 -1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3085 -0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3888 0.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3888 -0.3409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2908 1.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7908 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0992 1.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3373 2.8174 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 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 6 0 0 0
6 7 2 0 0 0 0
8 3 2 0 0 0 0
1 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 2 0 0 0 0
5 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
9 17 2 0 0 0 0
5 18 1 1 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
2 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 22
M SMT 2 OCH3
M SVB 2 22 -0.0992 1.9177
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -1.2908 1.6423
S SKP 8
ID FLND49NS0001
KNApSAcK_ID C00010255
NAME (R)-3,4-Dimethoxydalbergione
CAS_RN 3755-64-4
FORMULA C17H16O4
EXACTMASS 284.104859
AVERAGEMASS 284.30654
SMILES COc(c(=O)2)c(OC)c(=O)c(c2)[C@]([H])(C=C)c(c1)cccc1
M END
