Mol:FL2FF9NI0001
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.3717 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3717 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1492 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1492 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6701 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6701 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6701 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6701 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1492 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1492 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3717 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3717 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1910 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1910 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7119 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7119 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7119 0.1385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.7119 0.1385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.1910 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1910 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2323 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2323 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1910 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1910 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7666 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7666 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3010 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3010 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3010 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3010 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7666 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7666 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2323 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2323 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8925 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8925 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1492 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1492 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5324 0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5324 0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1221 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1221 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7115 0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7115 0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3010 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3010 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7115 -0.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7115 -0.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4094 1.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4094 1.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8291 1.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8291 1.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 5 25 1 0 0 0 0 | + | 5 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 0.4094 1.002 | + | M SVB 1 27 0.4094 1.002 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FF9NI0001 | + | ID FL2FF9NI0001 |
| − | KNApSAcK_ID C00008448 | + | KNApSAcK_ID C00008448 |
| − | NAME 8-Methoxypinocembrin 7-O-prenyl ether | + | NAME 8-Methoxypinocembrin 7-O-prenyl ether |
| − | CAS_RN 122585-67-5 | + | CAS_RN 122585-67-5 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES O(c(c(OC)1)cc(O)c(C(=O)3)c1OC(C3)c(c2)cccc2)CC=C(C)C | + | SMILES O(c(c(OC)1)cc(O)c(C(=O)3)c1OC(C3)c(c2)cccc2)CC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-0.3717 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1492 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6701 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6701 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1492 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3717 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1910 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7119 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7119 0.1385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.1910 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2323 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1910 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7666 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3010 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3010 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7666 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2323 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8925 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1492 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5324 0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1221 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7115 0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3010 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7115 -0.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4094 1.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8291 1.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
6 18 1 0 0 0 0
2 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
5 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 0.4094 1.002
S SKP 8
ID FL2FF9NI0001
KNApSAcK_ID C00008448
NAME 8-Methoxypinocembrin 7-O-prenyl ether
CAS_RN 122585-67-5
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES O(c(c(OC)1)cc(O)c(C(=O)3)c1OC(C3)c(c2)cccc2)CC=C(C)C
M END
