Mol:FLIC1LNF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3052 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3052 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3052 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3052 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7489 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7489 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1926 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1926 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1926 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1926 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7489 2.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7489 2.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6363 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6363 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0800 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0800 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0800 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0800 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6363 2.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6363 2.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4761 0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4761 0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4761 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4761 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0709 -0.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0709 -0.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6656 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6656 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6656 0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6656 0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0709 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0709 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9245 2.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9245 2.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0709 1.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0709 1.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2136 -0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2136 -0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8967 -0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8967 -0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1760 -0.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1760 -0.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2397 -1.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2397 -1.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8974 -2.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8974 -2.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9245 -1.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9245 -1.5480 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 |
| − | 17 1 1 0 0 0 0 | + | 17 1 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 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 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 14 1 0 0 0 0 | + | 21 14 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIC1LNF0001 | + | ID FLIC1LNF0001 |
| − | KNApSAcK_ID C00010031 | + | KNApSAcK_ID C00010031 |
| − | NAME Crotmarine | + | NAME Crotmarine |
| − | CAS_RN 92662-85-6 | + | CAS_RN 92662-85-6 |
| − | FORMULA C20H20O4 | + | FORMULA C20H20O4 |
| − | EXACTMASS 324.136159128 | + | EXACTMASS 324.136159128 |
| − | AVERAGEMASS 324.37039999999996 | + | AVERAGEMASS 324.37039999999996 |
| − | SMILES c(c4)c(C1)c(cc(O)4)OCC(c(c3)c(O)cc(c23)OC(C2)C(C)=C)1 | + | SMILES c(c4)c(C1)c(cc(O)4)OCC(c(c3)c(O)cc(c23)OC(C2)C(C)=C)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-2.3052 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3052 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7489 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1926 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1926 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7489 2.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6363 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0800 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0800 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6363 2.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4761 0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4761 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0709 -0.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6656 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6656 0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0709 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9245 2.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0709 1.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2136 -0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8967 -0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1760 -0.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2397 -1.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8974 -2.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9245 -1.5480 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
17 1 1 0 0 0 0
16 18 1 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 14 1 0 0 0 0
20 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
S SKP 8
ID FLIC1LNF0001
KNApSAcK_ID C00010031
NAME Crotmarine
CAS_RN 92662-85-6
FORMULA C20H20O4
EXACTMASS 324.136159128
AVERAGEMASS 324.37039999999996
SMILES c(c4)c(C1)c(cc(O)4)OCC(c(c3)c(O)cc(c23)OC(C2)C(C)=C)1
M END
