Mol:FLND2CNS0001
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 |
| − | -1.1697 1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1697 1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6134 1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6134 1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0573 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0573 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0573 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0573 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5195 0.4484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.5195 0.4484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 1.0962 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0962 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0962 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0962 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5195 1.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5195 1.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1697 0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1697 0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6134 0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6134 0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5195 -0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5195 -0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0335 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0335 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0335 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0335 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5195 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5195 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0724 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0724 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0724 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0724 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6249 0.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6249 0.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1527 0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1527 0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6249 -1.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6249 -1.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0813 -1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0813 -1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7957 -2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7957 -2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5269 2.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5269 2.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0268 2.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0268 2.9321 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 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 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 -1.5269 2.066 | + | M SVB 2 23 -1.5269 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 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 0.0813 -1.6535 | + | M SVB 1 21 0.0813 -1.6535 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLND2CNS0001 | + | ID FLND2CNS0001 |
| − | KNApSAcK_ID C00010257 | + | KNApSAcK_ID C00010257 |
| − | NAME (S)-3'-Hydroxy-4,4'-dimethoxydalbergione | + | NAME (S)-3'-Hydroxy-4,4'-dimethoxydalbergione |
| − | CAS_RN 41043-22-5 | + | CAS_RN 41043-22-5 |
| − | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
| − | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
| − | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
| − | SMILES COc(c2)c(O)cc(c2)[C@@]([H])(C=C)c(c1)c(=O)cc(OC)c(=O)1 | + | SMILES COc(c2)c(O)cc(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/
23 24 0 0 0 0 0 0 0 0999 V2000
-1.1697 1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6134 1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0573 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0573 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5195 0.4484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0962 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0962 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5195 1.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1697 0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6134 0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5195 -0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0335 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0335 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5195 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0724 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0724 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6249 0.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1527 0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6249 -1.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0813 -1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7957 -2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5269 2.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0268 2.9321 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
15 19 1 0 0 0 0
14 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 -1.5269 2.066
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 0.0813 -1.6535
S SKP 8
ID FLND2CNS0001
KNApSAcK_ID C00010257
NAME (S)-3'-Hydroxy-4,4'-dimethoxydalbergione
CAS_RN 41043-22-5
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c2)c(O)cc(c2)[C@@]([H])(C=C)c(c1)c(=O)cc(OC)c(=O)1
M END
