Mol:FLID2CNS0003
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 26 0 0 0 0 0 0 0 0999 V2000 | + | 23 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1831 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1831 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 1.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 1.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 0.0670 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.5142 0.0670 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 0.3881 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0421 0.3881 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0421 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 1.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 1.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 0.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 0.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5084 -0.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5084 -0.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 -1.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 -1.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7392 0.0671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7392 0.0671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6538 -1.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6538 -1.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5199 -1.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5199 -1.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5403 1.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5403 1.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0403 2.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0403 2.5152 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 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 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 -2.5403 1.6492 | + | M SVB 2 25 -2.5403 1.6492 |
| − | 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 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 2.0247 -0.826 | + | M SVB 1 23 2.0247 -0.826 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID2CNS0003 | + | ID FLID2CNS0003 |
| − | KNApSAcK_ID C00009628 | + | KNApSAcK_ID C00009628 |
| − | NAME Mucronucarpan;2,10-Dihydroxy-3,9-dimethoxypterocarpan | + | NAME Mucronucarpan;2,10-Dihydroxy-3,9-dimethoxypterocarpan |
| − | CAS_RN 69743-89-1 | + | CAS_RN 69743-89-1 |
| − | FORMULA C17H16O6 | + | FORMULA C17H16O6 |
| − | EXACTMASS 316.094688244 | + | EXACTMASS 316.094688244 |
| − | AVERAGEMASS 316.30534 | + | AVERAGEMASS 316.30534 |
| − | SMILES COc(c4)c(O)cc(c34)C(O1)C(CO3)c(c2)c1c(O)c(OC)c2 | + | SMILES COc(c4)c(O)cc(c34)C(O1)C(CO3)c(c2)c1c(O)c(OC)c2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-2.1831 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 1.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 0.0670 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0421 0.3881 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0421 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 1.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 0.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5084 -0.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -1.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 0.0671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6538 -1.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5199 -1.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5403 1.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0403 2.5152 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
13 18 1 0 0 0 0
2 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 25
M SMT 2 OCH3
M SVB 2 25 -2.5403 1.6492
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 2.0247 -0.826
S SKP 8
ID FLID2CNS0003
KNApSAcK_ID C00009628
NAME Mucronucarpan;2,10-Dihydroxy-3,9-dimethoxypterocarpan
CAS_RN 69743-89-1
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c4)c(O)cc(c34)C(O1)C(CO3)c(c2)c1c(O)c(OC)c2
M END
