Mol:FLIF1LNP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 35 0 0 0 0 0 0 0 0999 V2000 | + | 30 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3306 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3306 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3306 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3306 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8649 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8649 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3991 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3991 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3991 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3991 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8649 0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8649 0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0667 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0667 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5325 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5325 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5325 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5325 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0667 0.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0667 0.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9982 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9982 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4640 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4640 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4640 0.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4640 0.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9982 0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9982 0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9982 -0.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9982 -0.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4640 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4640 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9298 -0.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9298 -0.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9298 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9298 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5758 -1.5989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5758 -1.5989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1107 -1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1107 -1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3295 -1.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3295 -1.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5325 1.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5325 1.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5325 -0.6351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5325 -0.6351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0667 -0.6162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0667 -0.6162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8649 1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8649 1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3306 1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3306 1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7964 1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7964 1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7964 0.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7964 0.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3295 1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3295 1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2915 1.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2915 1.0616 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 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 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 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 11 15 1 0 0 0 0 | + | 11 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 12 1 0 0 0 0 | + | 18 12 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 17 1 0 0 0 0 | + | 21 17 1 0 0 0 0 |
| − | 9 22 1 1 0 0 0 | + | 9 22 1 1 0 0 0 |
| − | 8 23 1 1 0 0 0 | + | 8 23 1 1 0 0 0 |
| − | 7 24 2 0 0 0 0 | + | 7 24 2 0 0 0 0 |
| − | 6 25 1 0 0 0 0 | + | 6 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 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 |
| − | 28 1 1 0 0 0 0 | + | 28 1 1 0 0 0 0 |
| − | 27 29 1 1 0 0 0 | + | 27 29 1 1 0 0 0 |
| − | 27 30 1 6 0 0 0 | + | 27 30 1 6 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIF1LNP0002 | + | ID FLIF1LNP0002 |
| − | KNApSAcK_ID C00002550 | + | KNApSAcK_ID C00002550 |
| − | NAME Millettone | + | NAME Millettone |
| − | CAS_RN 50376-38-0 | + | CAS_RN 50376-38-0 |
| − | FORMULA C22H18O6 | + | FORMULA C22H18O6 |
| − | EXACTMASS 378.110338308 | + | EXACTMASS 378.110338308 |
| − | AVERAGEMASS 378.37472 | + | AVERAGEMASS 378.37472 |
| − | SMILES C(c64)(C3(COc4cc(O5)c(c6)OC5)[H])(C(=O)c(c2)c(O3)c(C=1)c(c2)OC(C1)(C)C)[H] | + | SMILES C(c64)(C3(COc4cc(O5)c(c6)OC5)[H])(C(=O)c(c2)c(O3)c(C=1)c(c2)OC(C1)(C)C)[H] |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 35 0 0 0 0 0 0 0 0999 V2000
-1.3306 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3306 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8649 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3991 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3991 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8649 0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0667 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5325 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5325 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0667 0.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9982 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4640 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4640 0.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9982 0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9982 -0.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4640 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9298 -0.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9298 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5758 -1.5989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1107 -1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3295 -1.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5325 1.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5325 -0.6351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0667 -0.6162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8649 1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3306 1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7964 1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7964 0.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3295 1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2915 1.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 9 1 0 0 0 0
11 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 12 1 0 0 0 0
16 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 17 1 0 0 0 0
9 22 1 1 0 0 0
8 23 1 1 0 0 0
7 24 2 0 0 0 0
6 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 1 1 0 0 0 0
27 29 1 1 0 0 0
27 30 1 6 0 0 0
S SKP 8
ID FLIF1LNP0002
KNApSAcK_ID C00002550
NAME Millettone
CAS_RN 50376-38-0
FORMULA C22H18O6
EXACTMASS 378.110338308
AVERAGEMASS 378.37472
SMILES C(c64)(C3(COc4cc(O5)c(c6)OC5)[H])(C(=O)c(c2)c(O3)c(C=1)c(c2)OC(C1)(C)C)[H]
M END
