Mol:FLIC1LNS0008
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9677 -3.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9677 -3.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3473 -3.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3473 -3.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8931 -3.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8931 -3.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0594 -2.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0594 -2.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6798 -2.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6798 -2.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1340 -2.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1340 -2.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6051 -2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6051 -2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7714 -1.4933 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.7714 -1.4933 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.3918 -1.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3918 -1.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8460 -1.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8460 -1.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3173 -1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3173 -1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3461 -1.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3461 -1.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8317 -0.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8317 -0.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6540 -0.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6540 -0.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0094 0.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0094 0.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4951 -0.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4951 -0.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1391 0.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1391 0.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0940 -1.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0940 -1.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6774 -1.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6774 -1.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6579 -3.6614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6579 -3.6614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6238 -3.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6238 -3.9203 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 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 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 -2.4612 1.3062 | + | M SVB 2 22 -2.4612 1.3062 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 -0.0371 -0.8933 | + | M SVB 1 20 -0.0371 -0.8933 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIC1LNS0008 | + | ID FLIC1LNS0008 |
| − | KNApSAcK_ID C00009712 | + | KNApSAcK_ID C00009712 |
| − | NAME Arvensan;4'-Hydroxy-7,2'-dimethoxyisoflavan | + | NAME Arvensan;4'-Hydroxy-7,2'-dimethoxyisoflavan |
| − | CAS_RN 63631-41-4 | + | CAS_RN 63631-41-4 |
| − | FORMULA C17H18O4 | + | FORMULA C17H18O4 |
| − | EXACTMASS 286.120509064 | + | EXACTMASS 286.120509064 |
| − | AVERAGEMASS 286.32241999999997 | + | AVERAGEMASS 286.32241999999997 |
| − | SMILES COc(c3)cc(O2)c(c3)CC(C2)c(c1)c(OC)cc(O)c1 | + | SMILES COc(c3)cc(O2)c(c3)CC(C2)c(c1)c(OC)cc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.9677 -3.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3473 -3.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8931 -3.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0594 -2.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6798 -2.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1340 -2.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6051 -2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7714 -1.4933 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.3918 -1.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8460 -1.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3173 -1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3461 -1.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8317 -0.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6540 -0.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0094 0.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4951 -0.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1391 0.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0940 -1.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 -1.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6579 -3.6614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6238 -3.9203 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 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
1 2 1 0 0 0 0
14 17 1 0 0 0 0
12 18 1 0 0 0 0
18 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -2.4612 1.3062
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -0.0371 -0.8933
S SKP 8
ID FLIC1LNS0008
KNApSAcK_ID C00009712
NAME Arvensan;4'-Hydroxy-7,2'-dimethoxyisoflavan
CAS_RN 63631-41-4
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c3)cc(O2)c(c3)CC(C2)c(c1)c(OC)cc(O)c1
M END
