Mol:FLIC1LNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0045 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0045 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5606 -0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5606 -0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9658 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9658 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9658 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9658 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3728 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3728 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5588 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5588 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0623 0.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0623 0.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 -0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -0.1289 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 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 |
| − | 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 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 12 24 1 0 0 0 0 | + | 12 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 26 -5.9117 3.7901 | + | M SBV 1 26 -5.9117 3.7901 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIC1LNI0001 | + | ID FLIC1LNI0001 |
| − | KNApSAcK_ID C00009727 | + | KNApSAcK_ID C00009727 |
| − | NAME 2'-O-Methylphaseollidinisoflavan | + | NAME 2'-O-Methylphaseollidinisoflavan |
| − | CAS_RN 56257-28-4 | + | CAS_RN 56257-28-4 |
| − | FORMULA C21H24O4 | + | FORMULA C21H24O4 |
| − | EXACTMASS 340.167459256 | + | EXACTMASS 340.167459256 |
| − | AVERAGEMASS 340.41285999999997 | + | AVERAGEMASS 340.41285999999997 |
| − | SMILES C(c(c1OC)c(ccc(C(C2)Cc(c3)c(cc(O)c3)O2)1)O)C=C(C)C | + | SMILES C(c(c1OC)c(ccc(C(C2)Cc(c3)c(cc(O)c3)O2)1)O)C=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.0045 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0045 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 -0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9658 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9658 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3728 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5588 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0623 0.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -0.1289 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 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
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
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
12 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 ^OCH3
M SBV 1 26 -5.9117 3.7901
S SKP 8
ID FLIC1LNI0001
KNApSAcK_ID C00009727
NAME 2'-O-Methylphaseollidinisoflavan
CAS_RN 56257-28-4
FORMULA C21H24O4
EXACTMASS 340.167459256
AVERAGEMASS 340.41285999999997
SMILES C(c(c1OC)c(ccc(C(C2)Cc(c3)c(cc(O)c3)O2)1)O)C=C(C)C
M END
