Mol:FLND2ANS0002
From Metabolomics.JP
(Difference between revisions)
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| − | 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 1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9335 1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3772 1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3772 1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1789 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1789 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1789 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1789 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7556 0.4484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.7556 0.4484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 1.3323 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3323 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3323 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3323 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7556 1.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7556 1.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9335 0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9335 0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3772 0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3772 0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7556 -0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7556 -0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2027 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2027 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2027 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2027 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7556 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7556 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3085 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3085 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3085 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3085 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3888 0.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3888 0.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3888 0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3888 0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3174 -1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3174 -1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0319 -2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0319 -2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2908 2.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2908 2.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7908 2.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7908 2.9320 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 1 0 0 0 | + | 5 6 1 1 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 6 0 0 0 | + | 5 18 1 6 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 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 -1.2908 2.066 | + | M SVB 2 22 -1.2908 2.066 |
| − | 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 0.3174 -1.6535 | + | M SVB 1 20 0.3174 -1.6535 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLND2ANS0002 | + | ID FLND2ANS0002 |
| − | KNApSAcK_ID C00010254 | + | KNApSAcK_ID C00010254 |
| − | NAME (S)-4,4'-Dimethoxydalbergione | + | NAME (S)-4,4'-Dimethoxydalbergione |
| − | CAS_RN 464-87-1 | + | CAS_RN 464-87-1 |
| − | FORMULA C17H16O4 | + | FORMULA C17H16O4 |
| − | EXACTMASS 284.104859 | + | EXACTMASS 284.104859 |
| − | AVERAGEMASS 284.30654 | + | AVERAGEMASS 284.30654 |
| − | SMILES COc(c2)ccc(c2)[C@@]([H])(C=C)c(c1)c(=O)cc(OC)c(=O)1 | + | SMILES COc(c2)ccc(c2)[C@@]([H])(C=C)c(c1)c(=O)cc(OC)c(=O)1 |
M END | M END | ||
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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 1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3772 1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1789 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1789 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 0.4484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3323 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3323 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 1.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9335 0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3772 0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 -0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2027 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2027 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7556 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3085 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3085 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3888 0.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3888 0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3174 -1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0319 -2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2908 2.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7908 2.9320 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 1 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 6 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 22
M SMT 2 OCH3
M SVB 2 22 -1.2908 2.066
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 0.3174 -1.6535
S SKP 8
ID FLND2ANS0002
KNApSAcK_ID C00010254
NAME (S)-4,4'-Dimethoxydalbergione
CAS_RN 464-87-1
FORMULA C17H16O4
EXACTMASS 284.104859
AVERAGEMASS 284.30654
SMILES COc(c2)ccc(c2)[C@@]([H])(C=C)c(c1)c(=O)cc(OC)c(=O)1
M END
