Mol:FLIAACCS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 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 |
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| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 29 8 1 0 0 0 0 | + | 29 8 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
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| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAACCS0004 | + | ID FLIAACCS0004 |
| − | KNApSAcK_ID C00006157 | + | KNApSAcK_ID C00006157 |
| − | NAME Orobol 6-C-(6''-acetylglucoside) | + | NAME Orobol 6-C-(6''-acetylglucoside) |
| − | CAS_RN 118949-91-0 | + | CAS_RN 118949-91-0 |
| − | FORMULA C23H22O12 | + | FORMULA C23H22O12 |
| − | EXACTMASS 490.111126168 | + | EXACTMASS 490.111126168 |
| − | AVERAGEMASS 490.41358 | + | AVERAGEMASS 490.41358 |
| − | SMILES C(=C4)(C(c(c(O4)2)c(c(C(C(O)3)OC(COC(C)=O)C(C(O)3)O)c(O)c2)O)=O)c(c1)ccc(c1O)O | + | SMILES C(=C4)(C(c(c(O4)2)c(c(C(C(O)3)OC(COC(C)=O)C(C(O)3)O)c(O)c2)O)=O)c(c1)ccc(c1O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-0.5905 0.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5905 -0.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0342 -0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.5221 0.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0342 0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.6347 -0.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6347 0.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.5585 -1.3035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1466 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8369 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2572 -1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7859 -1.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3147 -1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3147 -0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7859 -0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2572 -0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8434 -1.5587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8434 -0.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2 3 2 0 0 0 0
3 4 1 0 0 0 0
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6 1 2 0 0 0 0
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7 8 1 0 0 0 0
8 9 2 0 0 0 0
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14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
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18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
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
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 24 1 0 0 0 0
29 8 1 0 0 0 0
26 30 1 0 0 0 0
27 31 1 0 0 0 0
23 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
S SKP 8
ID FLIAACCS0004
KNApSAcK_ID C00006157
NAME Orobol 6-C-(6''-acetylglucoside)
CAS_RN 118949-91-0
FORMULA C23H22O12
EXACTMASS 490.111126168
AVERAGEMASS 490.41358
SMILES C(=C4)(C(c(c(O4)2)c(c(C(C(O)3)OC(COC(C)=O)C(C(O)3)O)c(O)c2)O)=O)c(c1)ccc(c1O)O
M END
