Mol:FLIAE8NS0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4912 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4912 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4912 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4912 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9349 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9349 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3786 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3786 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3786 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3786 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9349 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9349 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1777 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1777 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7340 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7340 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7340 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7340 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1777 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1777 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2901 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2901 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2901 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2901 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8849 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8849 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4797 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4797 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4797 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4797 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8849 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8849 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1777 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1777 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1021 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1021 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4797 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4797 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1021 -0.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1021 -0.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5756 -0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5756 -0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2901 -1.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2901 -1.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3713 -0.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3713 -0.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6568 -0.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6568 -0.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 20 2 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 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 24 -6.1203 3.3188 | + | M SBV 1 24 -6.1203 3.3188 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 26 -5.8422 3.0888 | + | M SBV 2 26 -5.8422 3.0888 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAE8NS0002 | + | ID FLIAE8NS0002 |
| − | KNApSAcK_ID C00009467 | + | KNApSAcK_ID C00009467 |
| − | NAME Tlatlancuayin;5,2-Dimethoxy-6,7-methylenedioxyisoflavone | + | NAME Tlatlancuayin;5,2-Dimethoxy-6,7-methylenedioxyisoflavone |
| − | CAS_RN 3743-44-0 | + | CAS_RN 3743-44-0 |
| − | FORMULA C18H14O6 | + | FORMULA C18H14O6 |
| − | EXACTMASS 326.07903818 | + | EXACTMASS 326.07903818 |
| − | AVERAGEMASS 326.30016 | + | AVERAGEMASS 326.30016 |
| − | SMILES c(c34)c(c1c(c3OCO4)OC)OC=C(c(c2)c(OC)ccc2)C1=O | + | SMILES c(c34)c(c1c(c3OCO4)OC)OC=C(c(c2)c(OC)ccc2)C1=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.4912 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4912 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9349 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3786 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3786 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9349 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1777 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7340 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7340 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1777 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2901 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2901 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8849 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4797 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4797 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8849 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1777 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1021 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4797 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1021 -0.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5756 -0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2901 -1.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3713 -0.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6568 -0.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 2 1 0 0 0 0
12 21 1 0 0 0 0
21 22 1 0 0 0 0
3 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 ^OCH3
M SBV 1 24 -6.1203 3.3188
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 26
M SMT 2 OCH3
M SBV 2 26 -5.8422 3.0888
S SKP 8
ID FLIAE8NS0002
KNApSAcK_ID C00009467
NAME Tlatlancuayin;5,2-Dimethoxy-6,7-methylenedioxyisoflavone
CAS_RN 3743-44-0
FORMULA C18H14O6
EXACTMASS 326.07903818
AVERAGEMASS 326.30016
SMILES c(c34)c(c1c(c3OCO4)OC)OC=C(c(c2)c(OC)ccc2)C1=O
M END
