Mol:FLIA1LNI0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2358 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2358 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2358 -0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2358 -0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 -0.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 -0.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1232 -0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1232 -0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1232 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1232 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5669 -0.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5669 -0.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0106 -0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0106 -0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0106 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0106 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5669 0.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5669 0.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5455 -0.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5455 -0.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5455 -1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5455 -1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1403 -1.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1403 -1.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7350 -1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7350 -1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7350 -0.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7350 -0.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1403 -0.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1403 -0.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7919 0.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7919 0.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5669 -1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5669 -1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3882 -1.6974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3882 -1.6974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7919 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7919 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3882 -0.5861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3882 -0.5861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2356 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2356 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2356 2.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2356 2.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7917 2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7917 2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7229 -2.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7229 -2.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4374 -2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4374 -2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4374 0.1291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4374 0.1291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1518 -0.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1518 -0.2834 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 13 27 1 0 0 0 0 | + | 13 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 16 29 1 0 0 0 0 | + | 16 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 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 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 30 | + | M SBL 1 1 30 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 30 -6.0109 4.1804 | + | M SBV 1 30 -6.0109 4.1804 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 29 30 | + | M SAL 2 2 29 30 |
| − | M SBL 2 1 32 | + | M SBL 2 1 32 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 32 -5.2965 4.9360 | + | M SBV 2 32 -5.2965 4.9360 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1LNI0006 | + | ID FLIA1LNI0006 |
| − | KNApSAcK_ID C00009885 | + | KNApSAcK_ID C00009885 |
| − | NAME Preferrugone;7-Hydroxy-2',5'-dimethoxy-3',4'-methylenedioxy-8-prenylisoflavone | + | NAME Preferrugone;7-Hydroxy-2',5'-dimethoxy-3',4'-methylenedioxy-8-prenylisoflavone |
| − | CAS_RN 130286-68-9 | + | CAS_RN 130286-68-9 |
| − | FORMULA C23H22O7 | + | FORMULA C23H22O7 |
| − | EXACTMASS 410.136553058 | + | EXACTMASS 410.136553058 |
| − | AVERAGEMASS 410.41658000000007 | + | AVERAGEMASS 410.41658000000007 |
| − | SMILES C(C=2c(c4OC)cc(OC)c(c43)OCO3)(c(c1OC2)ccc(O)c(CC=C(C)C)1)=O | + | SMILES C(C=2c(c4OC)cc(OC)c(c43)OCO3)(c(c1OC2)ccc(O)c(CC=C(C)C)1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-2.2358 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2358 -0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 -0.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 -0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 -0.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 -0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 0.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -0.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1403 -1.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7350 -1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7350 -0.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1403 -0.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7919 0.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 -1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3882 -1.6974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7919 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3882 -0.5861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2356 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2356 2.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7917 2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7229 -2.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4374 -2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4374 0.1291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1518 -0.2834 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 2 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
7 18 2 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
13 27 1 0 0 0 0
27 28 1 0 0 0 0
16 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 30
M SMT 1 OCH3
M SBV 1 30 -6.0109 4.1804
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 29 30
M SBL 2 1 32
M SMT 2 OCH3
M SBV 2 32 -5.2965 4.9360
S SKP 8
ID FLIA1LNI0006
KNApSAcK_ID C00009885
NAME Preferrugone;7-Hydroxy-2',5'-dimethoxy-3',4'-methylenedioxy-8-prenylisoflavone
CAS_RN 130286-68-9
FORMULA C23H22O7
EXACTMASS 410.136553058
AVERAGEMASS 410.41658000000007
SMILES C(C=2c(c4OC)cc(OC)c(c43)OCO3)(c(c1OC2)ccc(O)c(CC=C(C)C)1)=O
M END
