Mol:FLIDHXNF0004
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 |
| − | -1.1730 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1730 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1730 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1730 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6167 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6167 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0604 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0604 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0604 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0604 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6167 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6167 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4959 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4959 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0522 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0522 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0522 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0522 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4959 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4959 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6083 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6083 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6083 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6083 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2031 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2031 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7979 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7979 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7979 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7979 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2031 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2031 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5018 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5018 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3921 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3921 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5591 0.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5591 0.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7839 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7839 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1615 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1615 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7839 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7839 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5186 1.1337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5186 1.1337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7291 0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7291 0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3921 0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3921 0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7291 -0.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7291 -0.3839 0.0000 C 0 0 0 0 0 0 0 0 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 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 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 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 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
| − | 21 23 1 1 0 0 0 | + | 21 23 1 1 0 0 0 |
| − | 21 24 1 6 0 0 0 | + | 21 24 1 6 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 2 0 0 0 0 | + | 24 26 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDHXNF0004 | + | ID FLIDHXNF0004 |
| − | KNApSAcK_ID C00009686 | + | KNApSAcK_ID C00009686 |
| − | NAME Canescacarpin | + | NAME Canescacarpin |
| − | CAS_RN 79082-46-5 | + | CAS_RN 79082-46-5 |
| − | FORMULA C20H18O5 | + | FORMULA C20H18O5 |
| − | EXACTMASS 338.115423686 | + | EXACTMASS 338.115423686 |
| − | AVERAGEMASS 338.35392 | + | AVERAGEMASS 338.35392 |
| − | SMILES C(C(O)53)Oc(c2C3Oc(c54)cc(O)cc4)cc(c(c2)1)OC(C(C)=C)([H])C1 | + | SMILES C(C(O)53)Oc(c2C3Oc(c54)cc(O)cc4)cc(c(c2)1)OC(C(C)=C)([H])C1 |
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
-1.1730 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1730 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6167 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0604 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0604 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6167 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4959 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0522 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0522 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4959 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6083 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6083 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2031 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7979 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7979 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2031 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5018 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3921 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5591 0.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7839 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1615 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7839 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5186 1.1337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7291 0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3921 0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7291 -0.3839 0.0000 C 0 0 0 0 0 0 0 0 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 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 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
8 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 2 1 0 0 0 0
21 23 1 1 0 0 0
21 24 1 6 0 0 0
24 25 1 0 0 0 0
24 26 2 0 0 0 0
S SKP 8
ID FLIDHXNF0004
KNApSAcK_ID C00009686
NAME Canescacarpin
CAS_RN 79082-46-5
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES C(C(O)53)Oc(c2C3Oc(c54)cc(O)cc4)cc(c(c2)1)OC(C(C)=C)([H])C1
M END
