Mol:FLND4ANS0001
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 |
| − | -0.9335 1.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9335 1.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3772 1.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3772 1.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1789 1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1789 1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1789 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1789 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7556 0.3437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.7556 0.3437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 1.3323 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3323 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3323 1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3323 1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0423 1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0423 1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9335 0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9335 0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3772 0.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3772 0.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7556 -0.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7556 -0.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2027 -0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2027 -0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2027 -1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2027 -1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7556 -1.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7556 -1.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3085 -1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3085 -1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3085 -0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3085 -0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3888 0.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3888 0.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3888 -0.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3888 -0.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7556 -2.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7556 -2.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0992 2.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0992 2.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3373 3.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3373 3.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2908 1.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2908 1.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7908 2.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7908 2.8273 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 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 -1.2908 1.9613 | + | M SVB 2 23 -1.2908 1.9613 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 -0.0992 2.2367 | + | M SVB 1 21 -0.0992 2.2367 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLND4ANS0001 | + | ID FLND4ANS0001 |
| − | KNApSAcK_ID C00010256 | + | KNApSAcK_ID C00010256 |
| − | NAME (R)-4'-Hydroxy-3,4-dimethoxydalbergione | + | NAME (R)-4'-Hydroxy-3,4-dimethoxydalbergione |
| − | CAS_RN 69471-24-5 | + | CAS_RN 69471-24-5 |
| − | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
| − | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
| − | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
| − | SMILES COc(c(=O)2)c(OC)c(=O)c(c2)[C@]([H])(C=C)c(c1)ccc(O)c1 | + | SMILES COc(c(=O)2)c(OC)c(=O)c(c2)[C@]([H])(C=C)c(c1)ccc(O)c1 |
M END | M END | ||
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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
-0.9335 1.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3772 1.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1789 1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1789 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 0.3437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3323 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3323 1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0423 1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9335 0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3772 0.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 -0.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2027 -0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2027 -1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 -1.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3085 -1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3085 -0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3888 0.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3888 -0.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 -2.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0992 2.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3373 3.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2908 1.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7908 2.8273 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
14 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -1.2908 1.9613
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -0.0992 2.2367
S SKP 8
ID FLND4ANS0001
KNApSAcK_ID C00010256
NAME (R)-4'-Hydroxy-3,4-dimethoxydalbergione
CAS_RN 69471-24-5
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c(=O)2)c(OC)c(=O)c(c2)[C@]([H])(C=C)c(c1)ccc(O)c1
M END
