Mol:FLIG1LNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 35 0 0 0 0 0 0 0 0999 V2000 | + | 31 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4382 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4382 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4382 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4382 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8819 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8819 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3256 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3256 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3256 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3256 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8819 0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8819 0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2307 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2307 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7870 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7870 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7870 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7870 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2307 0.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2307 0.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3431 -1.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3431 -1.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3431 -1.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3431 -1.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9379 -2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9379 -2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5327 -1.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5327 -1.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5327 -1.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5327 -1.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9379 -0.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9379 -0.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2307 -1.7316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2307 -1.7316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1269 -2.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1269 -2.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9443 -0.1259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9443 -0.1259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8819 -1.7316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8819 -1.7316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9945 0.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9945 0.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5508 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5508 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5508 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5508 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9945 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9945 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8606 0.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8606 0.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1269 -0.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1269 -0.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8819 0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8819 0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3258 1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3258 1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3258 1.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3258 1.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2291 2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2291 2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8807 2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8807 2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 2 0 0 0 0 | + | 8 9 2 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 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 9 19 1 0 0 0 0 | + | 9 19 1 0 0 0 0 |
| − | 19 16 1 0 0 0 0 | + | 19 16 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 2 1 0 0 0 0 | + | 24 2 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 6 27 1 0 0 0 0 | + | 6 27 1 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 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIG1LNP0001 | + | ID FLIG1LNP0001 |
| − | KNApSAcK_ID C00009532 | + | KNApSAcK_ID C00009532 |
| − | NAME Millettin | + | NAME Millettin |
| − | CAS_RN 78338-36-0 | + | CAS_RN 78338-36-0 |
| − | FORMULA C25H22O6 | + | FORMULA C25H22O6 |
| − | EXACTMASS 418.141638436 | + | EXACTMASS 418.141638436 |
| − | AVERAGEMASS 418.43858 | + | AVERAGEMASS 418.43858 |
| − | SMILES c(c(CC=C(C)C)2)(c1c(c(C5=O)c2Oc(c53)oc(c4)c3ccc4O)O)OC(C=C1)(C)C | + | SMILES c(c(CC=C(C)C)2)(c1c(c(C5=O)c2Oc(c53)oc(c4)c3ccc4O)O)OC(C=C1)(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-1.4382 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4382 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8819 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3256 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3256 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8819 0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2307 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7870 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7870 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2307 0.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3431 -1.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3431 -1.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9379 -2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5327 -1.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5327 -1.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9379 -0.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2307 -1.7316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1269 -2.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9443 -0.1259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8819 -1.7316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9945 0.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5508 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5508 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9945 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8606 0.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1269 -0.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8819 0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3258 1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3258 1.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2291 2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8807 2.1196 0.0000 C 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
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
7 17 2 0 0 0 0
14 18 1 0 0 0 0
9 19 1 0 0 0 0
19 16 1 0 0 0 0
3 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 2 1 0 0 0 0
22 25 1 0 0 0 0
22 26 1 0 0 0 0
6 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FLIG1LNP0001
KNApSAcK_ID C00009532
NAME Millettin
CAS_RN 78338-36-0
FORMULA C25H22O6
EXACTMASS 418.141638436
AVERAGEMASS 418.43858
SMILES c(c(CC=C(C)C)2)(c1c(c(C5=O)c2Oc(c53)oc(c4)c3ccc4O)O)OC(C=C1)(C)C
M END
