Mol:FL3FACCS0012
From Metabolomics.JP
(Difference between revisions)
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| − | 2 16 1 0 0 0 0 | + | 2 16 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 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 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 31 34 1 0 0 0 0 | + | 31 34 1 0 0 0 0 |
| − | 9 28 1 0 0 0 0 | + | 9 28 1 0 0 0 0 |
| − | 32 35 1 0 0 0 0 | + | 32 35 1 0 0 0 0 |
| − | 21 36 1 0 0 0 0 | + | 21 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACCS0012 | + | ID FL3FACCS0012 |
| − | KNApSAcK_ID C00006163 | + | KNApSAcK_ID C00006163 |
| − | NAME Isoorientin 2'',6''-diacetate;2'',6''-Di-O-acetylisoorientin | + | NAME Isoorientin 2'',6''-diacetate;2'',6''-Di-O-acetylisoorientin |
| − | CAS_RN 131507-98-7 | + | CAS_RN 131507-98-7 |
| − | FORMULA C25H24O13 | + | FORMULA C25H24O13 |
| − | EXACTMASS 532.121690854 | + | EXACTMASS 532.121690854 |
| − | AVERAGEMASS 532.45026 | + | AVERAGEMASS 532.45026 |
| − | SMILES C(O1)(c(c2O)c(O)c(C(=O)3)c(OC(c(c4)cc(c(c4)O)O)=C3)c2)C(C(C(C1COC(C)=O)O)O)OC(C)=O | + | SMILES C(O1)(c(c2O)c(O)c(C(=O)3)c(OC(c(c4)cc(c(c4)O)O)=C3)c2)C(C(C(C1COC(C)=O)O)O)OC(C)=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/
38 41 0 0 0 0 0 0 0 0999 V2000
-0.5389 0.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5389 -0.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0174 -0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5737 -0.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5737 0.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0174 0.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1300 -0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6863 -0.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6863 0.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1300 0.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1300 -1.1119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0174 -1.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0923 -0.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.3598 -0.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8548 -0.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4117 -0.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.2952 1.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.2952 1.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2056 0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7344 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2631 0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2631 1.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7344 1.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2056 1.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7918 1.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7344 2.3466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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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
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15 21 1 0 0 0 0
2 16 1 0 0 0 0
1 22 1 0 0 0 0
18 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 28 1 0 0 0 0
31 34 1 0 0 0 0
9 28 1 0 0 0 0
32 35 1 0 0 0 0
21 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
S SKP 8
ID FL3FACCS0012
KNApSAcK_ID C00006163
NAME Isoorientin 2'',6''-diacetate;2'',6''-Di-O-acetylisoorientin
CAS_RN 131507-98-7
FORMULA C25H24O13
EXACTMASS 532.121690854
AVERAGEMASS 532.45026
SMILES C(O1)(c(c2O)c(O)c(C(=O)3)c(OC(c(c4)cc(c(c4)O)O)=C3)c2)C(C(C(C1COC(C)=O)O)O)OC(C)=O
M END
