Mol:FLIAAANF0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3095 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3095 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3095 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3095 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7532 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7532 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1969 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1969 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1969 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1969 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7532 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7532 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6406 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6406 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0843 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0843 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0843 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0843 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6406 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6406 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4718 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4718 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4718 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4718 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0666 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0666 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6614 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6614 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6614 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6614 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0666 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0666 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6406 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6406 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8656 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8656 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8656 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8656 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7532 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7532 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8656 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8656 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4205 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4205 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4205 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4205 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9754 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9754 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3146 -0.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3146 -0.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7183 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7183 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3146 0.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3146 0.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4044 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4044 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7475 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7475 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7475 0.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7475 0.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0905 -0.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0905 -0.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0905 -1.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0905 -1.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3106 -0.8025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3106 -0.8025 0.0000 O 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 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 15 1 0 0 0 0 | + | 27 15 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 22 32 1 0 0 0 0 | + | 22 32 1 0 0 0 0 |
| − | 21 33 1 0 0 0 0 | + | 21 33 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANF0003 | + | ID FLIAAANF0003 |
| − | KNApSAcK_ID C00009927 | + | KNApSAcK_ID C00009927 |
| − | NAME Lupinisoflavone M | + | NAME Lupinisoflavone M |
| − | CAS_RN 128700-28-7 | + | CAS_RN 128700-28-7 |
| − | FORMULA C25H28O8 | + | FORMULA C25H28O8 |
| − | EXACTMASS 456.17841787199995 | + | EXACTMASS 456.17841787199995 |
| − | AVERAGEMASS 456.48502 | + | AVERAGEMASS 456.48502 |
| − | SMILES c(c2C(C4=O)=COc(c43)cc(c(c3O)CC(O)C(C)(C)O)O)cc(c(c2)1)OC(C1)C(C)(C)O | + | SMILES c(c2C(C4=O)=COc(c43)cc(c(c3O)CC(O)C(C)(C)O)O)cc(c(c2)1)OC(C1)C(C)(C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-2.3095 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3095 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7532 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1969 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1969 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7532 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6406 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0843 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0843 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6406 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4718 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4718 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0666 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6614 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6614 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0666 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6406 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8656 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8656 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7532 -0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8656 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4205 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4205 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9754 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3146 -0.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7183 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3146 0.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4044 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7475 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7475 0.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0905 -0.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0905 -1.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3106 -0.8025 0.0000 O 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
2 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
18 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
14 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 15 1 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
28 31 1 0 0 0 0
22 32 1 0 0 0 0
21 33 1 0 0 0 0
S SKP 8
ID FLIAAANF0003
KNApSAcK_ID C00009927
NAME Lupinisoflavone M
CAS_RN 128700-28-7
FORMULA C25H28O8
EXACTMASS 456.17841787199995
AVERAGEMASS 456.48502
SMILES c(c2C(C4=O)=COc(c43)cc(c(c3O)CC(O)C(C)(C)O)O)cc(c(c2)1)OC(C1)C(C)(C)O
M END
