Mol:FL5FCGGA0001
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 |
| − | -0.1375 -5.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1375 -5.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4952 -5.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4952 -5.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7149 -4.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7149 -4.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3020 -3.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3020 -3.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3307 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3307 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5504 -4.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5504 -4.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5217 -3.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5217 -3.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1088 -2.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1088 -2.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5239 -2.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5239 -2.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7436 -3.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7436 -3.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0148 -3.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0148 -3.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9366 -2.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9366 -2.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7127 -1.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7127 -1.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1335 -1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1335 -1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7782 -1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7782 -1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0022 -2.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0022 -2.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5813 -2.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5813 -2.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5381 -2.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5381 -2.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9889 -0.7960 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.9889 -0.7960 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.6012 -1.4674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.6012 -1.4674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.3467 -1.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3467 -1.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0967 -1.4674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.0967 -1.4674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.4844 -0.7960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.4844 -0.7960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.7389 -1.0089 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.7389 -1.0089 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.2618 -0.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2618 -0.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0077 -0.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0077 -0.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4844 -0.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4844 -0.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1990 -0.9955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1990 -0.9955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3471 -4.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3471 -4.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6468 -2.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6468 -2.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9097 -0.7681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9097 -0.7681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5726 -1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5726 -1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2871 -1.8629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2871 -1.8629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6847 -5.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6847 -5.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4508 -6.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4508 -6.2852 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 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 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
| − | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
| − | 22 32 1 0 0 0 0 | + | 22 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 1 34 1 0 0 0 0 | + | 1 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 2.5726 -1.4504 | + | M SVB 2 35 2.5726 -1.4504 |
| − | 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 -3.2871 0.524 | + | M SVB 1 37 -3.2871 0.524 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FCGGA0001 | + | ID FL5FCGGA0001 |
| − | KNApSAcK_ID C00005758 | + | KNApSAcK_ID C00005758 |
| − | NAME Europetin 3-galactoside | + | NAME Europetin 3-galactoside |
| − | CAS_RN 115381-61-8 | + | CAS_RN 115381-61-8 |
| − | FORMULA C22H22O13 | + | FORMULA C22H22O13 |
| − | EXACTMASS 494.10604078999995 | + | EXACTMASS 494.10604078999995 |
| − | AVERAGEMASS 494.40228 | + | AVERAGEMASS 494.40228 |
| − | SMILES OC(C4O)[C@@H](O[C@H](CO)[C@@H]4O)OC(C(=O)3)=C(Oc(c32)cc(cc2O)OC)c(c1)cc(O)c(O)c(O)1 | + | SMILES OC(C4O)[C@@H](O[C@H](CO)[C@@H]4O)OC(C(=O)3)=C(Oc(c32)cc(cc2O)OC)c(c1)cc(O)c(O)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/
35 38 0 0 0 0 0 0 0 0999 V2000
-0.1375 -5.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4952 -5.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7149 -4.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3020 -3.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3307 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5504 -4.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5217 -3.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1088 -2.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5239 -2.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7436 -3.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0148 -3.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9366 -2.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7127 -1.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1335 -1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7782 -1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0022 -2.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5813 -2.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5381 -2.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9889 -0.7960 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6012 -1.4674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3467 -1.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0967 -1.4674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4844 -0.7960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7389 -1.0089 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2618 -0.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0077 -0.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4844 -0.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1990 -0.9955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3471 -4.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6468 -2.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9097 -0.7681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5726 -1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2871 -1.8629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6847 -5.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4508 -6.2852 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
19 20 1 0 0 0 0
20 21 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
22 21 1 1 0 0 0
15 28 1 0 0 0 0
3 29 1 0 0 0 0
16 30 1 0 0 0 0
14 31 1 0 0 0 0
22 32 1 0 0 0 0
32 33 1 0 0 0 0
1 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 2.5726 -1.4504
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 -3.2871 0.524
S SKP 8
ID FL5FCGGA0001
KNApSAcK_ID C00005758
NAME Europetin 3-galactoside
CAS_RN 115381-61-8
FORMULA C22H22O13
EXACTMASS 494.10604078999995
AVERAGEMASS 494.40228
SMILES OC(C4O)[C@@H](O[C@H](CO)[C@@H]4O)OC(C(=O)3)=C(Oc(c32)cc(cc2O)OC)c(c1)cc(O)c(O)c(O)1
M END
