Mol:FL3FFCGS0024
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 |
| − | 1.0988 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0988 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0988 -1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0988 -1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8133 -1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8133 -1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5277 -1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5277 -1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5277 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5277 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8133 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8133 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3843 -1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3843 -1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3301 -1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3301 -1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0446 -1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0446 -1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0446 -2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0446 -2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3301 -2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3301 -2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3843 -2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3843 -2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7591 -1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7591 -1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4736 -1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4736 -1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4736 -2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4736 -2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7591 -2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7591 -2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3301 -3.3765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3301 -3.3765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1880 -1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1880 -1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7591 -3.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7591 -3.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2333 0.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2333 0.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1922 -1.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1922 -1.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7591 -0.3539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7591 -0.3539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8618 -1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8618 -1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8618 -1.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8618 -1.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0880 3.0191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.0880 3.0191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.4891 2.4517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.4891 2.4517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8781 1.7242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8781 1.7242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8420 0.8999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8420 0.8999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.4410 1.4673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4410 1.4673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0521 2.1949 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.0521 2.1949 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.5851 2.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5851 2.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7429 3.0147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7429 3.0147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2033 4.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2033 4.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7939 3.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7939 3.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2160 1.7421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2160 1.7421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 4 21 1 0 0 0 0 | + | 4 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 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 33 | + | M SBL 3 1 33 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 33 3.5851 2.4838 | + | M SVB 3 33 3.5851 2.4838 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 23 | + | M SAL 2 2 21 23 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 3.1922 -1.3919 | + | M SVB 2 23 3.1922 -1.3919 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 24 | + | M SAL 1 2 18 24 |
| − | M SBL 1 1 19 | + | M SBL 1 1 19 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 19 -3.188 -1.0083 | + | M SVB 1 19 -3.188 -1.0083 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FFCGS0024 | + | ID FL3FFCGS0024 |
| − | KNApSAcK_ID C00013702 | + | KNApSAcK_ID C00013702 |
| − | NAME Hypolaetin 7,3'-dimethyl eter 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)-3-methoxyphenyl]-5,8-dihydroxy-7-methoxy-4H-1-benzopyran-4-one | + | NAME Hypolaetin 7,3'-dimethyl eter 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)-3-methoxyphenyl]-5,8-dihydroxy-7-methoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 215113-46-5 | + | CAS_RN 215113-46-5 |
| − | FORMULA C23H24O12 | + | FORMULA C23H24O12 |
| − | EXACTMASS 492.126776232 | + | EXACTMASS 492.126776232 |
| − | AVERAGEMASS 492.42946 | + | AVERAGEMASS 492.42946 |
| − | SMILES C(=O)(C=2)c(c(OC2c(c4)cc(OC)c(c4)O[C@@H]([C@@H](O)3)OC(CO)[C@@H]([C@@H]3O)O)1)c(cc(OC)c(O)1)O | + | SMILES C(=O)(C=2)c(c(OC2c(c4)cc(OC)c(c4)O[C@@H]([C@@H](O)3)OC(CO)[C@@H]([C@@H]3O)O)1)c(cc(OC)c(O)1)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/
35 38 0 0 0 0 0 0 0 0999 V2000
1.0988 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0988 -1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8133 -1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5277 -1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5277 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8133 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3843 -1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3301 -1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0446 -1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0446 -2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3301 -2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3843 -2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7591 -1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4736 -1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4736 -2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7591 -2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3301 -3.3765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1880 -1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7591 -3.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2333 0.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1922 -1.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7591 -0.3539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8618 -1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8618 -1.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0880 3.0191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4891 2.4517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8781 1.7242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8420 0.8999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4410 1.4673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0521 2.1949 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.5851 2.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7429 3.0147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2033 4.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7939 3.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2160 1.7421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
4 21 1 0 0 0 0
13 22 1 0 0 0 0
21 23 1 0 0 0 0
18 24 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
20 28 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 33
M SMT 3 CH2OH
M SVB 3 33 3.5851 2.4838
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 23
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 3.1922 -1.3919
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 24
M SBL 1 1 19
M SMT 1 OCH3
M SVB 1 19 -3.188 -1.0083
S SKP 8
ID FL3FFCGS0024
KNApSAcK_ID C00013702
NAME Hypolaetin 7,3'-dimethyl eter 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)-3-methoxyphenyl]-5,8-dihydroxy-7-methoxy-4H-1-benzopyran-4-one
CAS_RN 215113-46-5
FORMULA C23H24O12
EXACTMASS 492.126776232
AVERAGEMASS 492.42946
SMILES C(=O)(C=2)c(c(OC2c(c4)cc(OC)c(c4)O[C@@H]([C@@H](O)3)OC(CO)[C@@H]([C@@H]3O)O)1)c(cc(OC)c(O)1)O
M END
