Mol:FL3FCBCS0008
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 |
| − | -0.9168 0.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9168 0.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9168 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9168 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3605 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3605 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1958 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1958 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1958 0.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1958 0.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3605 0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3605 0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7521 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7521 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3084 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3084 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3084 0.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3084 0.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7521 0.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7521 0.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7521 -1.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7521 -1.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3605 -1.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3605 -1.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4701 -0.6146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.4701 -0.6146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.9545 -1.1921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.9545 -1.1921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.4389 -0.8827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.4389 -0.8827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.7376 -0.9652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.7376 -0.9652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.2326 -0.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2326 -0.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7895 -0.7796 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.7895 -0.7796 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.1697 -0.8020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1697 -0.8020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7655 -1.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7655 -1.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8690 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8690 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3978 0.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3978 0.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9265 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9265 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9265 1.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9265 1.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3978 1.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3978 1.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8690 1.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8690 1.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0639 -1.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0639 -1.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2740 0.8910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2740 0.8910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7740 1.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7740 1.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4552 1.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4552 1.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1697 1.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1697 1.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9906 0.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9906 0.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9457 0.4037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9457 0.4037 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 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 |
| − | 3 12 1 0 0 0 0 | + | 3 12 1 0 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
| − | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 2 16 1 0 0 0 0 | + | 2 16 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 9 21 1 0 0 0 0 | + | 9 21 1 0 0 0 0 |
| − | 15 27 1 0 0 0 0 | + | 15 27 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 18 32 1 0 0 0 0 | + | 18 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 32 33 | + | M SAL 3 2 32 33 |
| − | M SBL 3 1 35 | + | M SBL 3 1 35 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 35 -2.9906 0.1075 | + | M SVB 3 35 -2.9906 0.1075 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 30 31 | + | M SAL 2 2 30 31 |
| − | M SBL 2 1 33 | + | M SBL 2 1 33 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 33 3.4552 1.5321 | + | M SVB 2 33 3.4552 1.5321 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 28 29 | + | M SAL 1 2 28 29 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 31 -1.274 0.891 | + | M SVB 1 31 -1.274 0.891 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FCBCS0008 | + | ID FL3FCBCS0008 |
| − | KNApSAcK_ID C00006370 | + | KNApSAcK_ID C00006370 |
| − | NAME Embigenin;6-beta-D-Glucopyranosyl-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one | + | NAME Embigenin;6-beta-D-Glucopyranosyl-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 21089-34-9 | + | CAS_RN 21089-34-9 |
| − | FORMULA C23H24O10 | + | FORMULA C23H24O10 |
| − | EXACTMASS 460.136946988 | + | EXACTMASS 460.136946988 |
| − | AVERAGEMASS 460.43066 | + | AVERAGEMASS 460.43066 |
| − | SMILES c(c1C(=C4)Oc(c2)c(C(=O)4)c(O)c([C@H](O3)[C@@H](O)[C@H]([C@H](C3CO)O)O)c2OC)cc(OC)cc1 | + | SMILES c(c1C(=C4)Oc(c2)c(C(=O)4)c(O)c([C@H](O3)[C@@H](O)[C@H]([C@H](C3CO)O)O)c2OC)cc(OC)cc1 |
M END | M END | ||
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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
-0.9168 0.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9168 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3605 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1958 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1958 0.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3605 0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7521 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 0.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7521 0.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7521 -1.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3605 -1.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4701 -0.6146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.9545 -1.1921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4389 -0.8827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7376 -0.9652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2326 -0.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7895 -0.7796 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.1697 -0.8020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7655 -1.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8690 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3978 0.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9265 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9265 1.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3978 1.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8690 1.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0639 -1.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2740 0.8910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7740 1.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4552 1.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1697 1.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9906 0.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9457 0.4037 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 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
3 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
2 16 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 21 1 0 0 0 0
9 21 1 0 0 0 0
15 27 1 0 0 0 0
1 28 1 0 0 0 0
28 29 1 0 0 0 0
24 30 1 0 0 0 0
30 31 1 0 0 0 0
18 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 32 33
M SBL 3 1 35
M SMT 3 CH2OH
M SVB 3 35 -2.9906 0.1075
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 30 31
M SBL 2 1 33
M SMT 2 OCH3
M SVB 2 33 3.4552 1.5321
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 28 29
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 -1.274 0.891
S SKP 8
ID FL3FCBCS0008
KNApSAcK_ID C00006370
NAME Embigenin;6-beta-D-Glucopyranosyl-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 21089-34-9
FORMULA C23H24O10
EXACTMASS 460.136946988
AVERAGEMASS 460.43066
SMILES c(c1C(=C4)Oc(c2)c(C(=O)4)c(O)c([C@H](O3)[C@@H](O)[C@H]([C@H](C3CO)O)O)c2OC)cc(OC)cc1
M END
