Mol:FL5FELGS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
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| − | 2.6475 0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6475 0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6475 1.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6475 1.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3620 1.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3620 1.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0764 1.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0764 1.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.2186 0.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2186 0.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5041 0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5041 0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5041 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5041 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2186 -1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2186 -1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9330 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9330 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2104 0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2104 0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9249 0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9249 0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9249 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9249 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2104 -1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2104 -1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2186 -1.7725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2186 -1.7725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6393 0.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6393 0.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7909 1.8220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7909 1.8220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7935 0.1705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7935 0.1705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3103 0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3103 0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8977 -0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8977 -0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0993 -0.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0993 -0.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3059 -0.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3059 -0.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7184 0.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7184 0.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5168 0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5168 0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6738 0.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6738 0.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1537 1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1537 1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7935 -0.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7935 -0.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3464 -0.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3464 -0.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2708 -0.7512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2708 -0.7512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2104 -1.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2104 -1.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3620 -0.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3620 -0.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.6432 -1.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6432 -1.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6432 -1.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6432 -1.8220 0.0000 C 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 |
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| − | 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 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 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 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 16 32 1 0 0 0 0 | + | 16 32 1 0 0 0 0 |
| − | 1 33 1 0 0 0 0 | + | 1 33 1 0 0 0 0 |
| − | 12 34 1 0 0 0 0 | + | 12 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 15 36 1 0 0 0 0 | + | 15 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FELGS0004 | + | ID FL5FELGS0004 |
| − | KNApSAcK_ID C00013991 | + | KNApSAcK_ID C00013991 |
| − | NAME 5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-3,6-dimethoxy-2-(2,3,4-trihydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME 5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-3,6-dimethoxy-2-(2,3,4-trihydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 349152-35-8 | + | CAS_RN 349152-35-8 |
| − | FORMULA C23H24O14 | + | FORMULA C23H24O14 |
| − | EXACTMASS 524.116605476 | + | EXACTMASS 524.116605476 |
| − | AVERAGEMASS 524.42826 | + | AVERAGEMASS 524.42826 |
| − | SMILES COc(c(OC(C(O)4)OC(CO)C(C4O)O)3)c(c(c1c3)C(=O)C(OC)=C(c(c2)c(O)c(O)c(c2)O)O1)O | + | SMILES COc(c(OC(C(O)4)OC(CO)C(C4O)O)3)c(c(c1c3)C(=O)C(OC)=C(c(c2)c(O)c(O)c(c2)O)O1)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/
37 40 0 0 0 0 0 0 0 0999 V2000
3.3620 0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6475 0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6475 1.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3620 1.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0764 1.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0764 0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9330 0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2186 0.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5041 0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5041 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2186 -1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9330 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2104 0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9249 0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9249 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2104 -1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2186 -1.7725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6393 0.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7909 1.8220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7935 0.1705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3103 0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8977 -0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0993 -0.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3059 -0.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7184 0.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5168 0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6738 0.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1537 1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7935 -0.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3464 -0.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2708 -0.7512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.3620 -0.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5817 -1.0275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5817 -1.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6432 -1.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6432 -1.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
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6 1 1 0 0 0 0
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7 8 1 0 0 0 0
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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
5 19 1 0 0 0 0
6 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 18 1 0 0 0 0
16 32 1 0 0 0 0
1 33 1 0 0 0 0
12 34 1 0 0 0 0
34 35 1 0 0 0 0
15 36 1 0 0 0 0
36 37 1 0 0 0 0
S SKP 8
ID FL5FELGS0004
KNApSAcK_ID C00013991
NAME 5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-3,6-dimethoxy-2-(2,3,4-trihydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 349152-35-8
FORMULA C23H24O14
EXACTMASS 524.116605476
AVERAGEMASS 524.42826
SMILES COc(c(OC(C(O)4)OC(CO)C(C4O)O)3)c(c(c1c3)C(=O)C(OC)=C(c(c2)c(O)c(O)c(c2)O)O1)O
M END
