Mol:FLIAECNI0001
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 |
| − | -2.1566 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1566 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1566 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1566 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6003 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6003 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0440 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0440 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0440 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0440 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6003 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6003 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4877 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4877 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0686 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0686 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0686 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0686 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4877 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4877 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6247 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6247 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6247 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6247 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2194 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2194 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8142 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8142 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8142 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8142 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2194 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2194 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4877 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4877 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4674 -1.9894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4674 -1.9894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8711 -1.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8711 -1.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4674 -0.8782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4674 -0.8782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7127 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7127 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6003 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6003 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1564 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1564 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1564 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1564 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6003 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6003 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7125 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7125 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6003 -2.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6003 -2.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6003 -3.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6003 -3.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8711 -0.6779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8711 -0.6779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8630 -0.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8630 -0.5510 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 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 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 2 29 1 0 0 0 0 | + | 2 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 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 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 SVB 2 32 -2.8711 -0.6779 | + | M SVB 2 32 -2.8711 -0.6779 |
| − | 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 SVB 1 30 -2.0368 -1.251 | + | M SVB 1 30 -2.0368 -1.251 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAECNI0001 | + | ID FLIAECNI0001 |
| − | KNApSAcK_ID C00009912 | + | KNApSAcK_ID C00009912 |
| − | NAME Pre-5-methoxydurmillone;7-Hydroxy-5,6-dimethoxy-3',4'-methylenedioxy-8-prenylisoflavone | + | NAME Pre-5-methoxydurmillone;7-Hydroxy-5,6-dimethoxy-3',4'-methylenedioxy-8-prenylisoflavone |
| − | CAS_RN 130286-71-4 | + | CAS_RN 130286-71-4 |
| − | FORMULA C23H22O7 | + | FORMULA C23H22O7 |
| − | EXACTMASS 410.136553058 | + | EXACTMASS 410.136553058 |
| − | AVERAGEMASS 410.41658000000007 | + | AVERAGEMASS 410.41658000000007 |
| − | SMILES c(c(CC=C(C)C)4)(c3c(c(c4O)OC)OC)OC=C(C(=O)3)c(c2)cc(O1)c(c2)OC1 | + | SMILES c(c(CC=C(C)C)4)(c3c(c(c4O)OC)OC)OC=C(C(=O)3)c(c2)cc(O1)c(c2)OC1 |
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
-2.1566 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1566 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0440 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0440 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4877 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0686 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0686 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4877 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6247 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6247 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2194 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8142 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8142 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2194 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4877 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4674 -1.9894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8711 -1.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4674 -0.8782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7127 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1564 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1564 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7125 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 -2.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6003 -3.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8711 -0.6779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8630 -0.5510 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
7 17 2 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 1 0 0 0 0
1 21 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
3 27 1 0 0 0 0
27 28 1 0 0 0 0
2 29 1 0 0 0 0
29 30 1 0 0 0 0
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 SVB 2 32 -2.8711 -0.6779
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 SVB 1 30 -2.0368 -1.251
S SKP 8
ID FLIAECNI0001
KNApSAcK_ID C00009912
NAME Pre-5-methoxydurmillone;7-Hydroxy-5,6-dimethoxy-3',4'-methylenedioxy-8-prenylisoflavone
CAS_RN 130286-71-4
FORMULA C23H22O7
EXACTMASS 410.136553058
AVERAGEMASS 410.41658000000007
SMILES c(c(CC=C(C)C)4)(c3c(c(c4O)OC)OC)OC=C(C(=O)3)c(c2)cc(O1)c(c2)OC1
M END
