Mol:FL3FGAGS0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.5620 2.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5620 2.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5620 1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5620 1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2765 0.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2765 0.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9909 1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9909 1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9909 2.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9909 2.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2765 2.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2765 2.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8475 0.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8475 0.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1331 1.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1331 1.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5814 0.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5814 0.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5814 -0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5814 -0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1331 -0.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1331 -0.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8475 -0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8475 -0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2959 1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2959 1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0104 0.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0104 0.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0104 -0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0104 -0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2959 -0.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2959 -0.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1331 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1331 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7248 1.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7248 1.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2959 -1.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2959 -1.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6965 2.4031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6965 2.4031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2959 1.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2959 1.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6603 -0.4362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6603 -0.4362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3570 -0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3570 -0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3650 2.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3650 2.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0577 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0577 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0719 -1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0719 -1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4437 -2.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4437 -2.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7619 -1.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7619 -1.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9386 -1.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9386 -1.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5668 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5668 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2486 -1.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2486 -1.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5928 -1.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5928 -1.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1376 -1.0321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1376 -1.0321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3650 -2.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3650 -2.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9531 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9531 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7089 -2.4141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7089 -2.4141 0.0000 O 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 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 29 28 1 1 0 0 0 | + | 29 28 1 1 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | 28 36 1 0 0 0 0 | + | 28 36 1 0 0 0 0 |
| − | 19 29 1 0 0 0 0 | + | 19 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FGAGS0002 | + | ID FL3FGAGS0002 |
| − | KNApSAcK_ID C00013704 | + | KNApSAcK_ID C00013704 |
| − | NAME Nevadensin 5-glucoside;5-(beta-D-Glucopyranosyloxy)-7-hydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one | + | NAME Nevadensin 5-glucoside;5-(beta-D-Glucopyranosyloxy)-7-hydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 178405-54-4 | + | CAS_RN 178405-54-4 |
| − | FORMULA C24H26O12 | + | FORMULA C24H26O12 |
| − | EXACTMASS 506.142426296 | + | EXACTMASS 506.142426296 |
| − | AVERAGEMASS 506.45604 | + | AVERAGEMASS 506.45604 |
| − | SMILES C(C(C(O)4)OC(C(O)C4O)Oc(c(OC)1)c(C(=O)2)c(OC(c(c3)ccc(OC)c3)=C2)c(OC)c1O)O | + | SMILES C(C(C(O)4)OC(C(O)C4O)Oc(c(OC)1)c(C(=O)2)c(OC(c(c3)ccc(OC)c3)=C2)c(OC)c1O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
1.5620 2.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5620 1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2765 0.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9909 1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9909 2.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2765 2.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8475 0.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1331 1.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5814 0.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5814 -0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1331 -0.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8475 -0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2959 1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0104 0.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0104 -0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2959 -0.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1331 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7248 1.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2959 -1.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6965 2.4031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2959 1.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6603 -0.4362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3570 -0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3650 2.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0577 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0719 -1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4437 -2.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7619 -1.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9386 -1.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5668 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2486 -1.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5928 -1.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1376 -1.0321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3650 -2.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9531 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7089 -2.4141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
13 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
20 24 1 0 0 0 0
21 25 1 0 0 0 0
26 27 1 1 0 0 0
27 28 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
28 36 1 0 0 0 0
19 29 1 0 0 0 0
S SKP 8
ID FL3FGAGS0002
KNApSAcK_ID C00013704
NAME Nevadensin 5-glucoside;5-(beta-D-Glucopyranosyloxy)-7-hydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 178405-54-4
FORMULA C24H26O12
EXACTMASS 506.142426296
AVERAGEMASS 506.45604
SMILES C(C(C(O)4)OC(C(O)C4O)Oc(c(OC)1)c(C(=O)2)c(OC(c(c3)ccc(OC)c3)=C2)c(OC)c1O)O
M END
