Mol:FL2FBAGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7121 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7121 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7121 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7121 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1558 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1558 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4005 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4005 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4005 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4005 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1558 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1558 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9568 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9568 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5131 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5131 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5131 0.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.5131 0.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.9568 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9568 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0692 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0692 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6362 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6362 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2031 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2031 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2031 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2031 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6362 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6362 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0692 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0692 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9568 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9568 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2682 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2682 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3852 0.2208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.3852 0.2208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.0411 -0.2335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.0411 -0.2335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.5456 -0.0408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.5456 -0.0408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.0674 -0.0356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.0674 -0.0356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.4149 0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4149 0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9211 0.1302 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.9211 0.1302 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.8277 0.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8277 0.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3659 -0.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3659 -0.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2617 -0.5174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2617 -0.5174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7700 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7700 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5922 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5922 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1222 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1222 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1000 0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1000 0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0677 1.0319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0677 1.0319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | 14 28 1 0 0 0 0 | + | 14 28 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 34 -3.1 0.7798 | + | M SVB 2 34 -3.1 0.7798 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 -0.5922 -1.0073 | + | M SVB 1 32 -0.5922 -1.0073 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FBAGS0001 | + | ID FL2FBAGS0001 |
| − | KNApSAcK_ID C00008402 | + | KNApSAcK_ID C00008402 |
| − | NAME Puddumin A | + | NAME Puddumin A |
| − | CAS_RN 110187-26-3 | + | CAS_RN 110187-26-3 |
| − | FORMULA C22H24O10 | + | FORMULA C22H24O10 |
| − | EXACTMASS 448.136946988 | + | EXACTMASS 448.136946988 |
| − | AVERAGEMASS 448.41996000000006 | + | AVERAGEMASS 448.41996000000006 |
| − | SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c42)C(CC(c(c3)ccc(c3)O)O2)=O)OC)CO)O)O | + | SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c42)C(CC(c(c3)ccc(c3)O)O2)=O)OC)CO)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.7121 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7121 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1558 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4005 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4005 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1558 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9568 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5131 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5131 0.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.9568 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0692 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6362 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2031 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2031 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6362 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0692 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9568 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2682 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3852 0.2208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0411 -0.2335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5456 -0.0408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0674 -0.0356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4149 0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9211 0.1302 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.8277 0.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3659 -0.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2617 -0.5174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7700 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5922 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1222 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1000 0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0677 1.0319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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
9 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 18 1 0 0 0 0
14 28 1 0 0 0 0
3 29 1 0 0 0 0
29 30 1 0 0 0 0
24 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 34
M SMT 2 CH2OH
M SVB 2 34 -3.1 0.7798
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 -0.5922 -1.0073
S SKP 8
ID FL2FBAGS0001
KNApSAcK_ID C00008402
NAME Puddumin A
CAS_RN 110187-26-3
FORMULA C22H24O10
EXACTMASS 448.136946988
AVERAGEMASS 448.41996000000006
SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c42)C(CC(c(c3)ccc(c3)O)O2)=O)OC)CO)O)O
M END
