Mol:FL2FBANI0001
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 |
| − | -1.9452 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9452 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9452 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9452 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3889 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3889 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8326 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8326 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8326 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8326 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3889 -0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3889 -0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2763 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2763 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2800 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2800 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2800 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2800 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2763 -0.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2763 -0.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8361 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8361 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4030 -0.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4030 -0.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9700 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9700 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9700 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9700 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4030 0.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4030 0.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8361 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8361 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2763 -1.8628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2763 -1.8628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5368 -0.0139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5368 -0.0139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5368 0.9475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5368 0.9475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3889 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3889 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9450 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9450 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9450 1.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9450 1.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3889 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3889 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5011 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5011 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8254 -1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8254 -1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1109 -1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1109 -1.8921 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 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 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 |
| − | 3 25 1 0 0 0 0 | + | 3 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 SBV 1 27 -9.0807 3.1552 | + | M SBV 1 27 -9.0807 3.1552 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FBANI0001 | + | ID FL2FBANI0001 |
| − | KNApSAcK_ID C00008246 | + | KNApSAcK_ID C00008246 |
| − | NAME Isoxanthohumol(Sophora) | + | NAME Isoxanthohumol(Sophora) |
| − | CAS_RN 70872-29-6 | + | CAS_RN 70872-29-6 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES COc(c3)c(C(=O)2)c(c(CC=C(C)C)c(O)3)OC(C2)c(c1)ccc(O)c1 | + | SMILES COc(c3)c(C(=O)2)c(c(CC=C(C)C)c(O)3)OC(C2)c(c1)ccc(O)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 28 0 0 0 0 0 0 0 0999 V2000
-1.9452 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9452 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3889 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8326 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8326 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3889 -0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2763 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2800 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2800 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2763 -0.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8361 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 -0.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9700 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9700 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 0.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8361 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2763 -1.8628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5368 -0.0139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5368 0.9475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3889 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9450 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9450 1.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3889 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5011 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8254 -1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1109 -1.8921 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
9 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
7 17 2 0 0 0 0
18 1 1 0 0 0 0
14 19 1 0 0 0 0
6 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
3 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 SBV 1 27 -9.0807 3.1552
S SKP 8
ID FL2FBANI0001
KNApSAcK_ID C00008246
NAME Isoxanthohumol(Sophora)
CAS_RN 70872-29-6
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES COc(c3)c(C(=O)2)c(c(CC=C(C)C)c(O)3)OC(C2)c(c1)ccc(O)c1
M END
