Mol:FLIC4LNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1831 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1831 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 0.1994 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0421 0.1994 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0421 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0040 -1.1516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0040 -1.1516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7392 -0.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7392 -0.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7756 -1.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7756 -1.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4901 -1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4901 -1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5403 1.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5403 1.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0402 2.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0402 2.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7878 -0.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7878 -0.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7878 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7878 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3488 1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3488 1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9123 2.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9123 2.6356 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 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 |
| − | 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 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 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 |
| − | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 6 25 1 0 0 0 0 | + | 6 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 25 26 | + | M SAL 4 2 25 26 |
| − | M SBL 4 1 27 | + | M SBL 4 1 27 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 27 -1.3488 1.7359 | + | M SVB 4 27 -1.3488 1.7359 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 25 | + | M SBL 3 1 25 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 25 2.0247 -1.0148 | + | M SVB 3 25 2.0247 -1.0148 |
| − | 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 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 -2.5403 1.4605 | + | M SVB 2 23 -2.5403 1.4605 |
| − | 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 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 0.7756 -1.3234 | + | M SVB 1 21 0.7756 -1.3234 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIC4LNS0002 | + | ID FLIC4LNS0002 |
| − | KNApSAcK_ID C00009724 | + | KNApSAcK_ID C00009724 |
| − | NAME Machaerol B;6,2'-Dihydroxy-7,8,3',4'-tetramethoxyisoflavan | + | NAME Machaerol B;6,2'-Dihydroxy-7,8,3',4'-tetramethoxyisoflavan |
| − | CAS_RN 51798-42-6 | + | CAS_RN 51798-42-6 |
| − | FORMULA C19H22O7 | + | FORMULA C19H22O7 |
| − | EXACTMASS 362.136553058 | + | EXACTMASS 362.136553058 |
| − | AVERAGEMASS 362.37378 | + | AVERAGEMASS 362.37378 |
| − | SMILES c(c3OC)(O)cc(c(c3OC)1)CC(c(c2O)ccc(c2OC)OC)CO1 | + | SMILES c(c3OC)(O)cc(c(c3OC)1)CC(c(c2O)ccc(c2OC)OC)CO1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.1831 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.1994 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0421 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0040 -1.1516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 -0.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 -1.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4901 -1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5403 1.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0402 2.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7878 -0.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7878 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3488 1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9123 2.6356 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 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
1 2 1 0 0 0 0
12 17 1 0 0 0 0
2 18 1 0 0 0 0
13 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
14 23 1 0 0 0 0
23 24 1 0 0 0 0
6 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 25 26
M SBL 4 1 27
M SMT 4 OCH3
M SVB 4 27 -1.3488 1.7359
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 2.0247 -1.0148
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -2.5403 1.4605
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 0.7756 -1.3234
S SKP 8
ID FLIC4LNS0002
KNApSAcK_ID C00009724
NAME Machaerol B;6,2'-Dihydroxy-7,8,3',4'-tetramethoxyisoflavan
CAS_RN 51798-42-6
FORMULA C19H22O7
EXACTMASS 362.136553058
AVERAGEMASS 362.37378
SMILES c(c3OC)(O)cc(c(c3OC)1)CC(c(c2O)ccc(c2OC)OC)CO1
M END
