Mol:FL5FFCGL0009
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 |
| − | -1.6182 -4.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6182 -4.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9978 -4.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9978 -4.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5436 -4.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5436 -4.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7099 -3.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7099 -3.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3303 -3.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3303 -3.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7845 -3.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7845 -3.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2556 -3.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2556 -3.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4219 -2.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4219 -2.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0423 -2.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0423 -2.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4966 -2.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4966 -2.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2280 -3.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2280 -3.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2086 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2086 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7457 -1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7457 -1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9151 -0.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9151 -0.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5475 -0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5475 -0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0103 -0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0103 -0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8409 -1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8409 -1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2774 -1.9186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2774 -1.9186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0091 -0.6584 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.0091 -0.6584 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.6215 -1.3298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.6215 -1.3298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.3669 -1.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3669 -1.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1169 -1.3298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.1169 -1.3298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.5047 -0.6584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.5047 -0.6584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.7591 -0.8714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.7591 -0.8714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.2820 -0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2820 -0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0280 -0.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0280 -0.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2669 -1.0985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2669 -1.0985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7168 0.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7168 0.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0766 -4.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0766 -4.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6425 -0.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6425 -0.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7237 -2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7237 -2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9268 -1.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9268 -1.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3084 -4.5703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3084 -4.5703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2744 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2744 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2661 -3.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2661 -3.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0223 -2.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0223 -2.6936 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 |
| − | 22 31 1 0 0 0 0 | + | 22 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 |
| − | 6 35 1 0 0 0 0 | + | 6 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 2.7237 -2.0004 | + | M SVB 3 34 2.7237 -2.0004 |
| − | 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 -2.0753 0.9371 | + | M SVB 2 38 -2.0753 0.9371 |
| − | 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 -3.2669 0.6616 | + | M SVB 1 36 -3.2669 0.6616 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFCGL0009 | + | ID FL5FFCGL0009 |
| − | KNApSAcK_ID C00005711 | + | KNApSAcK_ID C00005711 |
| − | NAME Gossypetin 7,8-dimethyl ether 3-glucoside;2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one | + | NAME Gossypetin 7,8-dimethyl ether 3-glucoside;2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 161895-69-8 | + | CAS_RN 161895-69-8 |
| − | FORMULA C23H24O13 | + | FORMULA C23H24O13 |
| − | EXACTMASS 508.121690854 | + | EXACTMASS 508.121690854 |
| − | AVERAGEMASS 508.42886 | + | AVERAGEMASS 508.42886 |
| − | SMILES O(C(C(=O)2)=C(c(c4)cc(c(O)c4)O)Oc(c3OC)c(c(O)cc3OC)2)[C@H](O1)C(O)C([C@H]([C@@H](CO)1)O)O | + | SMILES O(C(C(=O)2)=C(c(c4)cc(c(O)c4)O)Oc(c3OC)c(c(O)cc3OC)2)[C@H](O1)C(O)C([C@H]([C@@H](CO)1)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
-1.6182 -4.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9978 -4.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5436 -4.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7099 -3.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3303 -3.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7845 -3.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2556 -3.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4219 -2.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0423 -2.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4966 -2.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2280 -3.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2086 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7457 -1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9151 -0.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5475 -0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0103 -0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8409 -1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2774 -1.9186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0091 -0.6584 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6215 -1.3298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3669 -1.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1169 -1.3298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5047 -0.6584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7591 -0.8714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2820 -0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0280 -0.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2669 -1.0985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7168 0.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0766 -4.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6425 -0.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7237 -2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9268 -1.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3084 -4.5703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2744 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2661 -3.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0223 -2.6936 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
22 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
6 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 2.7237 -2.0004
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 -2.0753 0.9371
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 -3.2669 0.6616
S SKP 8
ID FL5FFCGL0009
KNApSAcK_ID C00005711
NAME Gossypetin 7,8-dimethyl ether 3-glucoside;2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 161895-69-8
FORMULA C23H24O13
EXACTMASS 508.121690854
AVERAGEMASS 508.42886
SMILES O(C(C(=O)2)=C(c(c4)cc(c(O)c4)O)Oc(c3OC)c(c(O)cc3OC)2)[C@H](O1)C(O)C([C@H]([C@@H](CO)1)O)O
M END
