Mol:FL5F1AGS0001
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 |
| − | -0.1826 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1826 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1826 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1826 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3737 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3737 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9300 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9300 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9300 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9300 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3737 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3737 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4863 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4863 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0426 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0426 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0426 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0426 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4863 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4863 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4863 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4863 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5987 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5987 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1657 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1657 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7327 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7327 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7327 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7327 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1657 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1657 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5987 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5987 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7732 -1.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7732 -1.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7387 0.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7387 0.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5857 0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5857 0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0701 -0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0701 -0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3276 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3276 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6111 0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6111 0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1317 0.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1317 0.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7813 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7813 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2995 -0.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2995 -0.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8739 -0.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8739 -0.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9021 -0.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9021 -0.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2995 1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2995 1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1719 0.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1719 0.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7553 1.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7553 1.1635 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 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 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 -6.8596 5.0970 | + | M SBV 1 33 -6.8596 5.0970 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F1AGS0001 | + | ID FL5F1AGS0001 |
| − | KNApSAcK_ID C00005128 | + | KNApSAcK_ID C00005128 |
| − | NAME Resokaempferol 7-glucoside | + | NAME Resokaempferol 7-glucoside |
| − | CAS_RN 16290-10-1 | + | CAS_RN 16290-10-1 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c(C3=O)2)cc(cc2)OC(O1)C(O)C(O)C(O)C1CO | + | SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c(C3=O)2)cc(cc2)OC(O1)C(O)C(O)C(O)C1CO |
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
-0.1826 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1826 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3737 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9300 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9300 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3737 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4863 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0426 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0426 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4863 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4863 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5987 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1657 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7327 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7327 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1657 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5987 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7732 -1.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7387 0.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5857 0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0701 -0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3276 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6111 0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1317 0.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7813 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2995 -0.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8739 -0.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9021 -0.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2995 1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1719 0.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7553 1.1635 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
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 19 1 0 0 0 0
15 29 1 0 0 0 0
25 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 -6.8596 5.0970
S SKP 8
ID FL5F1AGS0001
KNApSAcK_ID C00005128
NAME Resokaempferol 7-glucoside
CAS_RN 16290-10-1
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c(C3=O)2)cc(cc2)OC(O1)C(O)C(O)C(O)C1CO
M END
