Mol:FL5FGGNS0016
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0995 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0995 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0995 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0995 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5432 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5432 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9869 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9869 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9869 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9869 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5432 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5432 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4306 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4306 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1257 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1257 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1257 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1257 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4306 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4306 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4306 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4306 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6818 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6818 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2488 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2488 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8158 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8158 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8158 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8158 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2488 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2488 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6818 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6818 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7104 -0.0120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7104 -0.0120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0880 -0.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0880 -0.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7104 -1.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7104 -1.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2488 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2488 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9917 -1.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9917 -1.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8577 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8577 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9796 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9796 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2652 -1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2652 -1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2652 0.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2652 0.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8287 1.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8287 1.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6112 -0.1957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6112 -0.1957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7987 -0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7987 -0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3735 1.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3735 1.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0880 0.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0880 0.5969 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 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 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 6 26 1 0 0 0 0 | + | 6 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 14 28 1 0 0 0 0 | + | 14 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | M STY 1 5 SUP | + | M STY 1 5 SUP |
| − | M SLB 1 5 5 | + | M SLB 1 5 5 |
| − | M SAL 5 2 30 31 | + | M SAL 5 2 30 31 |
| − | M SBL 5 1 33 | + | M SBL 5 1 33 |
| − | M SMT 5 OCH3 | + | M SMT 5 OCH3 |
| − | M SVB 5 33 2.3735 1.0094 | + | M SVB 5 33 2.3735 1.0094 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 28 29 | + | M SAL 4 2 28 29 |
| − | M SBL 4 1 31 | + | M SBL 4 1 31 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 31 2.4072 -0.5031 | + | M SVB 4 31 2.4072 -0.5031 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 26 27 | + | M SAL 3 2 26 27 |
| − | M SBL 3 1 29 | + | M SBL 3 1 29 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 29 -1.2652 0.6837 | + | M SVB 3 29 -1.2652 0.6837 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 27 | + | M SBL 2 1 27 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 27 -1.9796 -1.3346 | + | M SVB 2 27 -1.9796 -1.3346 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 0.336 -1.0379 | + | M SVB 1 25 0.336 -1.0379 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FGGNS0016 | + | ID FL5FGGNS0016 |
| − | KNApSAcK_ID C00005070 | + | KNApSAcK_ID C00005070 |
| − | NAME 3'-Hydroxy-3,5,8,4',5'-pentamethoxy-6,7-methylenedioxyflavone | + | NAME 3'-Hydroxy-3,5,8,4',5'-pentamethoxy-6,7-methylenedioxyflavone |
| − | CAS_RN 82668-94-8 | + | CAS_RN 82668-94-8 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES COc(c(O)1)c(cc(C(O2)=C(C(c(c(OC)3)c2c(OC)c(O4)c3OC4)=O)OC)c1)OC | + | SMILES COc(c(O)1)c(cc(C(O2)=C(C(c(c(OC)3)c2c(OC)c(O4)c3OC4)=O)OC)c1)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.0995 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0995 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5432 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9869 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9869 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5432 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4306 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1257 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1257 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4306 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4306 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6818 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2488 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8158 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8158 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2488 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6818 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7104 -0.0120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0880 -0.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7104 -1.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2488 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9917 -1.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8577 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9796 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2652 -1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2652 0.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8287 1.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6112 -0.1957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7987 -0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3735 1.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0880 0.5969 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
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 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
16 21 1 0 0 0 0
8 22 1 0 0 0 0
22 23 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
14 28 1 0 0 0 0
28 29 1 0 0 0 0
15 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 30 31
M SBL 5 1 33
M SMT 5 OCH3
M SVB 5 33 2.3735 1.0094
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 28 29
M SBL 4 1 31
M SMT 4 OCH3
M SVB 4 31 2.4072 -0.5031
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 26 27
M SBL 3 1 29
M SMT 3 OCH3
M SVB 3 29 -1.2652 0.6837
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 27
M SMT 2 OCH3
M SVB 2 27 -1.9796 -1.3346
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 0.336 -1.0379
S SKP 8
ID FL5FGGNS0016
KNApSAcK_ID C00005070
NAME 3'-Hydroxy-3,5,8,4',5'-pentamethoxy-6,7-methylenedioxyflavone
CAS_RN 82668-94-8
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES COc(c(O)1)c(cc(C(O2)=C(C(c(c(OC)3)c2c(OC)c(O4)c3OC4)=O)OC)c1)OC
M END
