Mol:FL6DACGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2594 0.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2594 0.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2594 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2594 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7031 -0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7031 -0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1468 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1468 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1468 0.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1468 0.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7031 0.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7031 0.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5905 -0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5905 -0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0342 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0342 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0342 0.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0342 0.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5905 0.6781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5905 0.6781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5219 0.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5219 0.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0888 0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0888 0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6558 0.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6558 0.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6558 1.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6558 1.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0888 1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0888 1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5219 1.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5219 1.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5905 -1.2487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5905 -1.2487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8143 0.6773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8143 0.6773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2226 1.6600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2226 1.6600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7031 -1.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7031 -1.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5521 -0.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5521 -0.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0311 -1.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0311 -1.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6147 -1.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6147 -1.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0306 -1.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0306 -1.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8143 -1.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8143 -1.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9735 -1.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9735 -1.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9934 -0.7315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9934 -0.7315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3860 -1.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3860 -1.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8143 -0.6477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8143 -0.6477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4297 -0.7493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4297 -0.7493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0888 2.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0888 2.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7621 -1.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7621 -1.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0476 -2.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0476 -2.3146 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 6 0 0 0 | + | 9 11 1 6 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 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 8 30 1 1 0 0 0 | + | 8 30 1 1 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 35 -3.4419 4.4504 | + | M SBV 1 35 -3.4419 4.4504 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6DACGS0001 | + | ID FL6DACGS0001 |
| − | KNApSAcK_ID C00009016 | + | KNApSAcK_ID C00009016 |
| − | NAME Catechin-4-ol 3-O-beta-D-galactopyranoside | + | NAME Catechin-4-ol 3-O-beta-D-galactopyranoside |
| − | CAS_RN 102130-02-9 | + | CAS_RN 102130-02-9 |
| − | FORMULA C21H24O12 | + | FORMULA C21H24O12 |
| − | EXACTMASS 468.126776232 | + | EXACTMASS 468.126776232 |
| − | AVERAGEMASS 468.40806 | + | AVERAGEMASS 468.40806 |
| − | SMILES O(C(C(O)3)C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C(O)C1O | + | SMILES O(C(C(O)3)C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C(O)C1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-2.2594 0.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2594 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7031 -0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1468 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1468 0.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7031 0.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5905 -0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0342 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0342 0.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5905 0.6781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5219 0.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0888 0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6558 0.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6558 1.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0888 1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5219 1.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5905 -1.2487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8143 0.6773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2226 1.6600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7031 -1.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5521 -0.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0311 -1.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6147 -1.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0306 -1.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8143 -1.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9735 -1.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9934 -0.7315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3860 -1.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8143 -0.6477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4297 -0.7493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0888 2.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7621 -1.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0476 -2.3146 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 6 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 1 0 0 0 0
18 1 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
8 30 1 1 0 0 0
22 30 1 0 0 0 0
15 31 1 0 0 0 0
24 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 CH2OH
M SBV 1 35 -3.4419 4.4504
S SKP 8
ID FL6DACGS0001
KNApSAcK_ID C00009016
NAME Catechin-4-ol 3-O-beta-D-galactopyranoside
CAS_RN 102130-02-9
FORMULA C21H24O12
EXACTMASS 468.126776232
AVERAGEMASS 468.40806
SMILES O(C(C(O)3)C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C(O)C1O
M END
