Mol:FL1CAANP0001
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.7689 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7689 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7689 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7689 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3252 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3252 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8815 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8815 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8815 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8815 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3252 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3252 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5120 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5120 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0683 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0683 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0441 -1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0441 -1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6051 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6051 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0441 -1.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0441 -1.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6051 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6051 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1577 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1577 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7103 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7103 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7103 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7103 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1577 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1577 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1577 -1.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1577 -1.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4378 0.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4378 0.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0675 0.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0675 0.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2630 0.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2630 0.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8156 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8156 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8156 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8156 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2630 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2630 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3682 0.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3682 0.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4378 -0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4378 -0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1577 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1577 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7090 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7090 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7090 1.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7090 1.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1589 1.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1589 1.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2592 1.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2592 1.9204 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 18 5 1 0 0 0 0 | + | 18 5 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 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 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 15 1 0 0 0 0 | + | 23 15 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 13 26 1 0 0 0 0 | + | 13 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CAANP0001 | + | ID FL1CAANP0001 |
| − | KNApSAcK_ID C00007102 | + | KNApSAcK_ID C00007102 |
| − | NAME Sericone | + | NAME Sericone |
| − | CAS_RN 71385-96-1 | + | CAS_RN 71385-96-1 |
| − | FORMULA C25H26O5 | + | FORMULA C25H26O5 |
| − | EXACTMASS 406.178023942 | + | EXACTMASS 406.178023942 |
| − | AVERAGEMASS 406.47094 | + | AVERAGEMASS 406.47094 |
| − | SMILES C(=C1)c(c(O)2)c(c(CC=C(C)C)c(c(C(C=Cc(c3)ccc(O)c3)=O)2)O)OC(C)(C)1 | + | SMILES C(=C1)c(c(O)2)c(c(CC=C(C)C)c(c(C(C=Cc(c3)ccc(O)c3)=O)2)O)OC(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/
30 32 0 0 0 0 0 0 0 0999 V2000
1.7689 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7689 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3252 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8815 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8815 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3252 0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5120 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0683 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0441 -1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6051 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0441 -1.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6051 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1577 0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7103 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7103 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1577 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1577 -1.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4378 0.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0675 0.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2630 0.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8156 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8156 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2630 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3682 0.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4378 -0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1577 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7090 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7090 1.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1589 1.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2592 1.9204 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
18 5 1 0 0 0 0
12 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 15 1 0 0 0 0
21 24 1 0 0 0 0
21 25 1 0 0 0 0
13 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL1CAANP0001
KNApSAcK_ID C00007102
NAME Sericone
CAS_RN 71385-96-1
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES C(=C1)c(c(O)2)c(c(CC=C(C)C)c(c(C(C=Cc(c3)ccc(O)c3)=O)2)O)OC(C)(C)1
M END
