Mol:FL5FFCGS0012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5206 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5206 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5206 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5206 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0357 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0357 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5920 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5920 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5920 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5920 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0357 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0357 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1483 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1483 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7046 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7046 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7046 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7046 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1483 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1483 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1483 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1483 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2607 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2607 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8277 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8277 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3947 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3947 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3947 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3947 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8277 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8277 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2607 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2607 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0767 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0767 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0357 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0357 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2607 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2607 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3947 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3947 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0357 0.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0357 0.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5015 0.2016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.5015 0.2016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.0745 -0.3620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.0745 -0.3620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.4598 -0.1229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.4598 -0.1229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8665 -0.1165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.8665 -0.1165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.2976 0.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2976 0.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9256 0.0892 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.9256 0.0892 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.9787 0.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9787 0.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7401 -0.3944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7401 -0.3944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1075 -0.7142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1075 -0.7142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1609 0.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1609 0.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4913 1.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4913 1.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1111 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1111 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5525 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5525 2.6397 0.0000 C 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 16 34 1 0 0 0 0 | + | 16 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 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 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 35 -3.1609 0.815 | + | M SVB 2 35 -3.1609 0.815 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 34 35 | + | M SAL 1 2 34 35 |
| − | M SBL 1 1 37 | + | M SBL 1 1 37 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 37 3.1111 1.7424 | + | M SVB 1 37 3.1111 1.7424 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFCGS0012 | + | ID FL5FFCGS0012 |
| − | KNApSAcK_ID C00005708 | + | KNApSAcK_ID C00005708 |
| − | NAME Haploside B | + | NAME Haploside B |
| − | CAS_RN 77240-00-7 | + | CAS_RN 77240-00-7 |
| − | FORMULA C22H22O13 | + | FORMULA C22H22O13 |
| − | EXACTMASS 494.10604078999995 | + | EXACTMASS 494.10604078999995 |
| − | AVERAGEMASS 494.40228 | + | AVERAGEMASS 494.40228 |
| − | SMILES C(C=1O)(=O)c(c(O)4)c(c(c(c4)O[C@@H]([C@@H](O)3)OC(CO)[C@@H]([C@@H]3O)O)O)OC1c(c2)cc(OC)c(O)c2 | + | SMILES C(C=1O)(=O)c(c(O)4)c(c(c(c4)O[C@@H]([C@@H](O)3)OC(CO)[C@@H]([C@@H]3O)O)O)OC1c(c2)cc(OC)c(O)c2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-0.5206 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5206 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0357 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5920 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5920 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0357 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1483 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7046 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7046 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1483 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1483 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2607 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8277 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3947 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3947 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8277 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2607 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0767 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0357 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2607 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3947 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0357 0.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5015 0.2016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0745 -0.3620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4598 -0.1229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8665 -0.1165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2976 0.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9256 0.0892 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.9787 0.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7401 -0.3944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1075 -0.7142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1609 0.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4913 1.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1111 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5525 2.6397 0.0000 C 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 0 0 0 0
15 21 1 0 0 0 0
6 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 18 1 0 0 0 0
28 32 1 0 0 0 0
32 33 1 0 0 0 0
16 34 1 0 0 0 0
34 35 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 CH2OH
M SVB 2 35 -3.1609 0.815
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 34 35
M SBL 1 1 37
M SMT 1 OCH3
M SVB 1 37 3.1111 1.7424
S SKP 8
ID FL5FFCGS0012
KNApSAcK_ID C00005708
NAME Haploside B
CAS_RN 77240-00-7
FORMULA C22H22O13
EXACTMASS 494.10604078999995
AVERAGEMASS 494.40228
SMILES C(C=1O)(=O)c(c(O)4)c(c(c(c4)O[C@@H]([C@@H](O)3)OC(CO)[C@@H]([C@@H]3O)O)O)OC1c(c2)cc(OC)c(O)c2
M END
