Mol:FLID1ANF0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 30 0 0 0 0 0 0 0 0999 V2000 | + | 26 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7883 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7883 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7883 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7883 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2320 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2320 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6757 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6757 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6757 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6757 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2320 2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2320 2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1194 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1194 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4369 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4369 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4369 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4369 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1194 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1194 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9930 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9930 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9930 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9930 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5878 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5878 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1826 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1826 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1826 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1826 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5878 1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5878 1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1177 0.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1177 0.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7768 -0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7768 -0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5878 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5878 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1820 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1820 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1820 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1820 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5890 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5890 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7750 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7750 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3992 2.0629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3992 2.0629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7768 1.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7768 1.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3992 1.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3992 1.0235 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 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 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 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 |
| − | 26 2 1 0 0 0 0 | + | 26 2 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1ANF0004 | + | ID FLID1ANF0004 |
| − | KNApSAcK_ID C00010013 | + | KNApSAcK_ID C00010013 |
| − | NAME Erybraedin E | + | NAME Erybraedin E |
| − | CAS_RN 119269-73-7 | + | CAS_RN 119269-73-7 |
| − | FORMULA C22H20O4 | + | FORMULA C22H20O4 |
| − | EXACTMASS 348.136159128 | + | EXACTMASS 348.136159128 |
| − | AVERAGEMASS 348.3918 | + | AVERAGEMASS 348.3918 |
| − | SMILES C(Cc(c(O)1)c(O2)c(C(C5)C2c(c4O5)cc(c3)c(c4)oc3)cc1)=C(C)C | + | SMILES C(Cc(c(O)1)c(O2)c(C(C5)C2c(c4O5)cc(c3)c(c4)oc3)cc1)=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 30 0 0 0 0 0 0 0 0999 V2000
-1.7883 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7883 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2320 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6757 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6757 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2320 2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1194 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4369 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4369 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1194 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9930 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9930 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5878 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1826 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1826 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5878 1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1177 0.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7768 -0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5878 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1820 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1820 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5890 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7750 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3992 2.0629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7768 1.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3992 1.0235 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 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 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 1 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 2 1 0 0 0 0
S SKP 8
ID FLID1ANF0004
KNApSAcK_ID C00010013
NAME Erybraedin E
CAS_RN 119269-73-7
FORMULA C22H20O4
EXACTMASS 348.136159128
AVERAGEMASS 348.3918
SMILES C(Cc(c(O)1)c(O2)c(C(C5)C2c(c4O5)cc(c3)c(c4)oc3)cc1)=C(C)C
M END
