Mol:FL5FFCGS0015
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8780 -0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8780 -0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8780 -1.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8780 -1.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3217 -1.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3217 -1.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7654 -1.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7654 -1.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7654 -0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7654 -0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3217 -0.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3217 -0.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2091 -1.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2091 -1.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3472 -1.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3472 -1.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3472 -0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3472 -0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2091 -0.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2091 -0.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2091 -2.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2091 -2.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9033 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9033 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4703 -0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4703 -0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0372 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0372 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0372 0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0372 0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4703 0.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4703 0.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9033 0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9033 0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3217 -2.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3217 -2.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9033 -1.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9033 -1.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4703 1.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4703 1.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2102 0.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2102 0.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2344 2.3075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.2344 2.3075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.6180 1.7136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.6180 1.7136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.1831 1.2176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.1831 1.2176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.9741 0.6624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.9741 0.6624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.7165 1.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7165 1.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1431 1.7279 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.1431 1.7279 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.3771 2.8399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3771 2.8399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8761 2.3279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8761 2.3279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6183 0.6844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6183 0.6844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7613 2.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7613 2.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1293 1.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1293 1.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4254 -1.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4254 -1.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3651 -1.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3651 -1.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6214 0.5177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6214 0.5177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3359 0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3359 0.1052 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 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 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 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 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 1 33 1 0 0 0 0 | + | 1 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 15 35 1 0 0 0 0 | + | 15 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 31 32 | + | M SAL 3 2 31 32 |
| − | M SBL 3 1 34 | + | M SBL 3 1 34 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 34 -2.2598 2.333 | + | M SVB 3 34 -2.2598 2.333 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 35 36 | + | M SAL 2 2 35 36 |
| − | M SBL 2 1 38 | + | M SBL 2 1 38 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 38 2.6214 0.5177 | + | M SVB 2 38 2.6214 0.5177 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 36 -2.2352 -0.1582 | + | M SVB 1 36 -2.2352 -0.1582 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFCGS0015 | + | ID FL5FFCGS0015 |
| − | KNApSAcK_ID C00005713 | + | KNApSAcK_ID C00005713 |
| − | NAME Gossypetin 7,4'-dimethyl ether 8-glucoside | + | NAME Gossypetin 7,4'-dimethyl ether 8-glucoside |
| − | CAS_RN 32427-55-7 | + | CAS_RN 32427-55-7 |
| − | FORMULA C23H24O13 | + | FORMULA C23H24O13 |
| − | EXACTMASS 508.121690854 | + | EXACTMASS 508.121690854 |
| − | AVERAGEMASS 508.42886 | + | AVERAGEMASS 508.42886 |
| − | SMILES c(c1)c(OC)c(cc1C(O4)=C(C(c(c42)c(cc(OC)c2O[C@H](O3)[C@@H](O)[C@H]([C@H](C(CO)3)O)O)O)=O)O)O | + | SMILES c(c1)c(OC)c(cc1C(O4)=C(C(c(c42)c(cc(OC)c2O[C@H](O3)[C@@H](O)[C@H]([C@H](C(CO)3)O)O)O)=O)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-1.8780 -0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8780 -1.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 -1.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7654 -1.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7654 -0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 -0.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2091 -1.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3472 -1.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3472 -0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2091 -0.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2091 -2.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9033 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4703 -0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0372 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0372 0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4703 0.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9033 0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 -2.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9033 -1.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4703 1.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2102 0.1765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2344 2.3075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6180 1.7136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1831 1.2176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9741 0.6624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7165 1.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1431 1.7279 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.3771 2.8399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8761 2.3279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6183 0.6844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7613 2.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1293 1.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4254 -1.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3651 -1.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6214 0.5177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3359 0.1052 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
3 18 1 0 0 0 0
8 19 1 0 0 0 0
16 20 1 0 0 0 0
6 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
21 25 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
1 33 1 0 0 0 0
33 34 1 0 0 0 0
15 35 1 0 0 0 0
35 36 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 31 32
M SBL 3 1 34
M SMT 3 CH2OH
M SVB 3 34 -2.2598 2.333
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 35 36
M SBL 2 1 38
M SMT 2 OCH3
M SVB 2 38 2.6214 0.5177
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 36
M SMT 1 OCH3
M SVB 1 36 -2.2352 -0.1582
S SKP 8
ID FL5FFCGS0015
KNApSAcK_ID C00005713
NAME Gossypetin 7,4'-dimethyl ether 8-glucoside
CAS_RN 32427-55-7
FORMULA C23H24O13
EXACTMASS 508.121690854
AVERAGEMASS 508.42886
SMILES c(c1)c(OC)c(cc1C(O4)=C(C(c(c42)c(cc(OC)c2O[C@H](O3)[C@@H](O)[C@H]([C@H](C(CO)3)O)O)O)=O)O)O
M END
