Mol:FL2FF9NC0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.2552 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2552 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2694 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2694 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0101 -1.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0101 -1.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6839 -0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6839 -0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6747 0.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6747 0.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9908 0.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9908 0.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3892 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3892 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0101 -1.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0101 -1.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1036 0.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1036 0.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8181 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8181 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8181 1.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8181 1.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1036 1.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1036 1.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3892 1.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3892 1.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4379 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4379 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1594 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1594 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1594 -0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1594 -0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4379 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4379 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4379 -1.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4379 -1.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4379 1.3396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4379 1.3396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0757 1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0757 1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7620 0.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7620 0.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7620 1.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7620 1.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7895 -1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7895 -1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3892 -0.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3892 -0.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3892 0.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3892 0.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1036 0.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1036 0.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8181 0.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8181 0.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8181 -0.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8181 -0.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1036 -1.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1036 -1.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1036 -1.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1036 -1.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1036 1.3582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1036 1.3582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7464 1.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7464 1.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 6 0 0 0 | + | 5 7 1 6 0 0 0 |
| − | 3 8 2 0 0 0 0 | + | 3 8 2 0 0 0 0 |
| − | 7 9 2 0 0 0 0 | + | 7 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 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 7 1 0 0 0 0 | + | 13 7 1 0 0 0 0 |
| − | 2 14 1 0 0 0 0 | + | 2 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 1 1 0 0 0 0 | + | 17 1 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 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 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FF9NC0001 | + | ID FL2FF9NC0001 |
| − | KNApSAcK_ID C00014263 | + | KNApSAcK_ID C00014263 |
| − | NAME Macrophyllol A (flavone);5-Hydroxy-7,8-dimethoxy-6-(2-hydroxy-5-methoxybenzyl)flavanone | + | NAME Macrophyllol A (flavone);5-Hydroxy-7,8-dimethoxy-6-(2-hydroxy-5-methoxybenzyl)flavanone |
| − | CAS_RN 477934-73-9 | + | CAS_RN 477934-73-9 |
| − | FORMULA C25H24O7 | + | FORMULA C25H24O7 |
| − | EXACTMASS 436.152203122 | + | EXACTMASS 436.152203122 |
| − | AVERAGEMASS 436.45385999999996 | + | AVERAGEMASS 436.45385999999996 |
| − | SMILES c(c3O)(Cc(c4)c(O)ccc(OC)4)c(OC)c(c(c32)OC(CC2=O)c(c1)cccc1)OC | + | SMILES c(c3O)(Cc(c4)c(O)ccc(OC)4)c(OC)c(c(c32)OC(CC2=O)c(c1)cccc1)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/
32 35 0 0 0 0 0 0 0 0999 V2000
0.2552 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2694 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0101 -1.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6839 -0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6747 0.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9908 0.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3892 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0101 -1.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1036 0.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8181 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8181 1.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1036 1.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3892 1.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4379 0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1594 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1594 -0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4379 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4379 -1.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4379 1.3396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0757 1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7620 0.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7620 1.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7895 -1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3892 -0.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3892 0.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1036 0.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8181 0.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8181 -0.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1036 -1.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1036 -1.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1036 1.3582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7464 1.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 2 1 0 0 0 0
5 7 1 6 0 0 0
3 8 2 0 0 0 0
7 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 7 1 0 0 0 0
2 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 1 1 0 0 0 0
17 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
16 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
26 31 1 0 0 0 0
31 32 1 0 0 0 0
S SKP 8
ID FL2FF9NC0001
KNApSAcK_ID C00014263
NAME Macrophyllol A (flavone);5-Hydroxy-7,8-dimethoxy-6-(2-hydroxy-5-methoxybenzyl)flavanone
CAS_RN 477934-73-9
FORMULA C25H24O7
EXACTMASS 436.152203122
AVERAGEMASS 436.45385999999996
SMILES c(c3O)(Cc(c4)c(O)ccc(OC)4)c(OC)c(c(c32)OC(CC2=O)c(c1)cccc1)OC
M END
