Mol:FL1CQUNI0002
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 31 0 0 0 0 0 0 0 0999 V2000 | + | 30 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8724 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8724 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8724 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8724 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1579 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1579 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4434 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4434 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4434 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4434 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1579 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1579 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5868 -0.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5868 -0.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1579 2.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1579 2.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8724 2.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8724 2.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2711 -0.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2711 -0.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2711 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2711 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9855 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9855 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7000 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7000 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4145 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4145 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4145 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4145 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1289 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1289 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8434 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8434 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8434 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8434 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1289 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1289 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2711 2.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2711 2.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6882 -0.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6882 -0.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 -0.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 -0.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0309 -1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0309 -1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8434 -1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8434 -1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7488 -1.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7488 -1.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6276 -0.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6276 -0.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9097 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9097 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3794 -2.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3794 -2.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6616 -2.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6616 -2.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4330 -1.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4330 -1.9325 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 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 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 |
| − | 2 7 2 0 0 0 0 | + | 2 7 2 0 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 4 10 2 0 0 0 0 | + | 4 10 2 0 0 0 0 |
| − | 5 11 2 0 0 0 0 | + | 5 11 2 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 11 20 1 0 0 0 0 | + | 11 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 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 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 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 FL1CQUNI0002 | + | ID FL1CQUNI0002 |
| − | KNApSAcK_ID C00014587 | + | KNApSAcK_ID C00014587 |
| − | NAME Tunicatachalcone | + | NAME Tunicatachalcone |
| − | CAS_RN 329038-96-2 | + | CAS_RN 329038-96-2 |
| − | FORMULA C26H30O4 | + | FORMULA C26H30O4 |
| − | EXACTMASS 406.21440944799997 | + | EXACTMASS 406.21440944799997 |
| − | AVERAGEMASS 406.51399999999995 | + | AVERAGEMASS 406.51399999999995 |
| − | SMILES COC(C1=C(O)C=Cc(c2)cccc2)=CC(C(CC=C(C)C)(CC=C(C)C)C1=O)=O | + | SMILES COC(C1=C(O)C=Cc(c2)cccc2)=CC(C(CC=C(C)C)(CC=C(C)C)C1=O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 31 0 0 0 0 0 0 0 0999 V2000
-1.8724 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8724 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1579 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4434 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4434 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1579 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5868 -0.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1579 2.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8724 2.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2711 -0.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2711 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9855 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7000 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4145 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4145 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1289 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8434 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8434 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1289 1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2711 2.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6882 -0.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0309 -1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8434 -1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7488 -1.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6276 -0.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9097 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3794 -2.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6616 -2.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4330 -1.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
2 7 2 0 0 0 0
6 8 1 0 0 0 0
8 9 1 0 0 0 0
4 10 2 0 0 0 0
5 11 2 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 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
11 20 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
3 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 FL1CQUNI0002
KNApSAcK_ID C00014587
NAME Tunicatachalcone
CAS_RN 329038-96-2
FORMULA C26H30O4
EXACTMASS 406.21440944799997
AVERAGEMASS 406.51399999999995
SMILES COC(C1=C(O)C=Cc(c2)cccc2)=CC(C(CC=C(C)C)(CC=C(C)C)C1=O)=O
M END
