Mol:FLICWXNS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0045 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0045 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5606 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5606 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -2.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -2.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0623 -0.4525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0623 -0.4525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9330 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9330 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0 | + | 7 8 2 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 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 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 |
| − | 12 21 1 0 0 0 0 | + | 12 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 0.0623 -0.4525 | + | M SVB 2 23 0.0623 -0.4525 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 0.9542 -1.0369 | + | M SVB 1 21 0.9542 -1.0369 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLICWXNS0006 | + | ID FLICWXNS0006 |
| − | KNApSAcK_ID C00009753 | + | KNApSAcK_ID C00009753 |
| − | NAME Haginin A;7,4'-Dihydroxy-2',3'-dimethoxyisoflavene | + | NAME Haginin A;7,4'-Dihydroxy-2',3'-dimethoxyisoflavene |
| − | CAS_RN 74174-29-1 | + | CAS_RN 74174-29-1 |
| − | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
| − | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
| − | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
| − | SMILES COc(c(O)3)c(OC)c(cc3)C(C1)=Cc(c2)c(cc(O)c2)O1 | + | SMILES COc(c(O)3)c(OC)c(cc3)C(C1)=Cc(c2)c(cc(O)c2)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.0045 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0045 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -2.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0623 -0.4525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9330 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 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 2 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 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 11 2 0 0 0 0
1 2 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
12 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 0.0623 -0.4525
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 0.9542 -1.0369
S SKP 8
ID FLICWXNS0006
KNApSAcK_ID C00009753
NAME Haginin A;7,4'-Dihydroxy-2',3'-dimethoxyisoflavene
CAS_RN 74174-29-1
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c(O)3)c(OC)c(cc3)C(C1)=Cc(c2)c(cc(O)c2)O1
M END
