Mol:FL5F1AGS0002
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 |
| − | -3.6652 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6652 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6652 -0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6652 -0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1089 -1.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1089 -1.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5526 -0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5526 -0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5526 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5526 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1089 -0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1089 -0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9963 -1.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9963 -1.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4400 -0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4400 -0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4400 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4400 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9963 -0.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9963 -0.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9963 -1.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9963 -1.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8839 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8839 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3169 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3169 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2500 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2500 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2500 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2500 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3169 0.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3169 0.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8839 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8839 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9120 -1.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9120 -1.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1761 -0.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1761 -0.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7962 0.9890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7962 0.9890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8416 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8416 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4540 0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4540 0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1995 1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1995 1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9494 0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9494 0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3372 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3372 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5917 1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5917 1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1217 1.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1217 1.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8986 1.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8986 1.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8965 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8965 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4616 0.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4616 0.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1761 0.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1761 0.4231 0.0000 O 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 |
| − | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 33 -5.0670 3.2602 | + | M SBV 1 33 -5.0670 3.2602 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F1AGS0002 | + | ID FL5F1AGS0002 |
| − | KNApSAcK_ID C00005129 | + | KNApSAcK_ID C00005129 |
| − | NAME Resokaempferol 4'-glucoside | + | NAME Resokaempferol 4'-glucoside |
| − | CAS_RN 24502-04-3 | + | CAS_RN 24502-04-3 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES c(c3)(ccc(OC(O4)C(O)C(O)C(O)C4CO)c3)C(=C2O)Oc(c1)c(C2=O)ccc(O)1 | + | SMILES c(c3)(ccc(OC(O4)C(O)C(O)C(O)C4CO)c3)C(=C2O)Oc(c1)c(C2=O)ccc(O)1 |
M END | M END | ||
| − | |||
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
-3.6652 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6652 -0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1089 -1.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5526 -0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5526 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1089 -0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9963 -1.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4400 -0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4400 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9963 -0.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9963 -1.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8839 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3169 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2500 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2500 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3169 0.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8839 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9120 -1.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1761 -0.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7962 0.9890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8416 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4540 0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1995 1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9494 0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3372 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5917 1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1217 1.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8986 1.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8965 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4616 0.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1761 0.4231 0.0000 O 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
18 8 1 0 0 0 0
1 19 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 20 1 0 0 0 0
20 15 1 0 0 0 0
24 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 CH2OH
M SBV 1 33 -5.0670 3.2602
S SKP 8
ID FL5F1AGS0002
KNApSAcK_ID C00005129
NAME Resokaempferol 4'-glucoside
CAS_RN 24502-04-3
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES c(c3)(ccc(OC(O4)C(O)C(O)C(O)C4CO)c3)C(=C2O)Oc(c1)c(C2=O)ccc(O)1
M END
