Mol:FL1C3CGS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 43 0 0 0 0 0 0 0 0999 V2000 | + | 41 43 0 0 0 0 0 0 0 0999 V2000 |
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| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
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| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 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 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 28 35 1 0 0 0 0 | + | 28 35 1 0 0 0 0 |
| − | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
| − | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 29 39 1 0 0 0 0 | + | 29 39 1 0 0 0 0 |
| − | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
| − | 39 41 1 0 0 0 0 | + | 39 41 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C3CGS0007 | + | ID FL1C3CGS0007 |
| − | KNApSAcK_ID C00007898 | + | KNApSAcK_ID C00007898 |
| − | NAME Okanin 4'-(3'',4'',6''-triacetylglucoside) | + | NAME Okanin 4'-(3'',4'',6''-triacetylglucoside) |
| − | CAS_RN 135618-14-3 | + | CAS_RN 135618-14-3 |
| − | FORMULA C27H28O14 | + | FORMULA C27H28O14 |
| − | EXACTMASS 576.147905604 | + | EXACTMASS 576.147905604 |
| − | AVERAGEMASS 576.50282 | + | AVERAGEMASS 576.50282 |
| − | SMILES CC(=O)OC(C(OC(C)=O)3)C(O)C(OC3COC(C)=O)Oc(c2)c(O)c(c(c2)C(C=Cc(c1)ccc(c1O)O)=O)O | + | SMILES CC(=O)OC(C(OC(C)=O)3)C(O)C(OC3COC(C)=O)Oc(c2)c(O)c(c(c2)C(C=Cc(c1)ccc(c1O)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/
41 43 0 0 0 0 0 0 0 0999 V2000
-0.3479 -0.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3479 -0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2061 -1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7601 -0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7601 -0.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2061 0.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 -1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8663 -0.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4176 -1.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9678 -0.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5062 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0445 -0.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0445 -0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5062 0.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9678 -0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 -1.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2061 -1.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9016 0.0776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5828 0.0492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8329 -1.2522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5828 -1.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-2.9264 0.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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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
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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
13 19 1 0 0 0 0
20 2 1 0 0 0 0
12 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
27 31 1 0 0 0 0
25 18 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
28 35 1 0 0 0 0
35 36 2 0 0 0 0
35 37 1 0 0 0 0
33 38 1 0 0 0 0
29 39 1 0 0 0 0
39 40 2 0 0 0 0
39 41 1 0 0 0 0
S SKP 8
ID FL1C3CGS0007
KNApSAcK_ID C00007898
NAME Okanin 4'-(3'',4'',6''-triacetylglucoside)
CAS_RN 135618-14-3
FORMULA C27H28O14
EXACTMASS 576.147905604
AVERAGEMASS 576.50282
SMILES CC(=O)OC(C(OC(C)=O)3)C(O)C(OC3COC(C)=O)Oc(c2)c(O)c(c(c2)C(C=Cc(c1)ccc(c1O)O)=O)O
M END
