Mol:FL3FFCGS0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 50 54 0 0 0 0 0 0 0 0999 V2000 | + | 50 54 0 0 0 0 0 0 0 0999 V2000 |
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| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 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 |
| − | 28 23 1 0 0 0 0 | + | 28 23 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 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 36 41 1 0 0 0 0 | + | 36 41 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 37 31 1 0 0 0 0 | + | 37 31 1 0 0 0 0 |
| − | 26 20 1 0 0 0 0 | + | 26 20 1 0 0 0 0 |
| − | 39 42 1 0 0 0 0 | + | 39 42 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
| − | 44 46 1 0 0 0 0 | + | 44 46 1 0 0 0 0 |
| − | 32 47 1 0 0 0 0 | + | 32 47 1 0 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 48 50 2 0 0 0 0 | + | 48 50 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FFCGS0009 | + | ID FL3FFCGS0009 |
| − | KNApSAcK_ID C00004425 | + | KNApSAcK_ID C00004425 |
| − | NAME 8-Hydroxyluteolin 7-[6'''-acetylallosyl-(1->2)-6''-acetylglucoside] | + | NAME 8-Hydroxyluteolin 7-[6'''-acetylallosyl-(1->2)-6''-acetylglucoside] |
| − | CAS_RN 108706-10-1 | + | CAS_RN 108706-10-1 |
| − | FORMULA C31H34O19 | + | FORMULA C31H34O19 |
| − | EXACTMASS 710.1694289059999 | + | EXACTMASS 710.1694289059999 |
| − | AVERAGEMASS 710.5902600000001 | + | AVERAGEMASS 710.5902600000001 |
| − | SMILES c(c1)c(O)c(cc1C(O5)=CC(c(c52)c(cc(OC(C3OC(C4O)OC(COC(C)=O)C(C4O)O)OC(C(O)C3O)COC(C)=O)c(O)2)O)=O)O | + | SMILES c(c1)c(O)c(cc1C(O5)=CC(c(c52)c(cc(OC(C3OC(C4O)OC(COC(C)=O)C(C4O)O)OC(C(O)C3O)COC(C)=O)c(O)2)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/
50 54 0 0 0 0 0 0 0 0999 V2000
0.7710 0.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7710 0.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2220 -0.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6731 0.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6731 0.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2220 0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1242 -0.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5752 0.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5752 0.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1242 0.8923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1242 -0.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0261 0.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4858 0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9456 0.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9456 1.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4858 1.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0261 1.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4858 2.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2220 -0.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3181 0.9720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2220 1.4707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5147 1.8419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2336 0.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7180 0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9755 0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2591 0.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7797 0.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5381 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8101 0.3624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5218 -0.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5501 -0.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8888 1.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2706 -1.7299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4811 -1.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9655 -1.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.0272 -1.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-2.4616 2.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1234 1.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4616 2.5602 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
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
16 18 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
6 21 1 0 0 0 0
22 15 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
28 32 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
35 40 1 0 0 0 0
36 41 1 0 0 0 0
33 34 1 0 0 0 0
37 31 1 0 0 0 0
26 20 1 0 0 0 0
39 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
32 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
48 50 2 0 0 0 0
S SKP 8
ID FL3FFCGS0009
KNApSAcK_ID C00004425
NAME 8-Hydroxyluteolin 7-[6'''-acetylallosyl-(1->2)-6''-acetylglucoside]
CAS_RN 108706-10-1
FORMULA C31H34O19
EXACTMASS 710.1694289059999
AVERAGEMASS 710.5902600000001
SMILES c(c1)c(O)c(cc1C(O5)=CC(c(c52)c(cc(OC(C3OC(C4O)OC(COC(C)=O)C(C4O)O)OC(C(O)C3O)COC(C)=O)c(O)2)O)=O)O
M END
