Mol:FL5FEAGS0009
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -3.0704 -0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0704 -0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0704 -0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0704 -0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5141 -1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5141 -1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9578 -0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9578 -0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9578 -0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9578 -0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5141 0.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5141 0.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4015 -1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4015 -1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8452 -0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8452 -0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8452 -0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8452 -0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4015 0.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4015 0.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4015 -1.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4015 -1.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2891 0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2891 0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2778 -0.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2778 -0.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8448 0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8448 0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8448 0.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8448 0.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2778 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2778 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2891 0.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2891 0.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6265 0.0719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6265 0.0719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4118 -1.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4118 -1.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4116 1.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4116 1.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5141 -1.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5141 -1.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8647 0.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8647 0.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5901 0.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5901 0.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0687 1.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0687 1.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8905 1.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8905 1.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1650 1.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1650 1.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6864 1.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6864 1.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3535 1.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3535 1.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3055 0.2022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3055 0.2022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7417 0.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7417 0.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7849 1.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7849 1.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7849 -0.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7849 -0.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0704 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0704 -1.2126 0.0000 C 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 26 20 1 0 0 0 0 | + | 26 20 1 0 0 0 0 |
| − | 2 32 1 0 0 0 0 | + | 2 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 35 -9.1433 3.5135 | + | M SBV 1 35 -9.1433 3.5135 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FEAGS0009 | + | ID FL5FEAGS0009 |
| − | KNApSAcK_ID C00005320 | + | KNApSAcK_ID C00005320 |
| − | NAME 6-Methoxykaempferol 4'-rhamnoside | + | NAME 6-Methoxykaempferol 4'-rhamnoside |
| − | CAS_RN 124962-14-7 | + | CAS_RN 124962-14-7 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES C(O)(C(C)1)C(C(C(Oc(c2)ccc(C(=C(O)3)Oc(c4)c(c(c(OC)c4O)O)C3=O)c2)O1)O)O | + | SMILES C(O)(C(C)1)C(C(C(Oc(c2)ccc(C(=C(O)3)Oc(c4)c(c(c(OC)c4O)O)C3=O)c2)O1)O)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
-3.0704 -0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0704 -0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5141 -1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9578 -0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9578 -0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5141 0.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4015 -1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8452 -0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8452 -0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4015 0.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4015 -1.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2891 0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2778 -0.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8448 0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8448 0.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2778 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2891 0.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6265 0.0719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4118 -1.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4116 1.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5141 -1.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8647 0.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5901 0.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0687 1.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8905 1.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1650 1.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6864 1.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3535 1.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3055 0.2022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7417 0.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7849 1.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7849 -0.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0704 -1.2126 0.0000 C 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
20 15 1 0 0 0 0
3 21 1 0 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 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 20 1 0 0 0 0
2 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 ^OCH3
M SBV 1 35 -9.1433 3.5135
S SKP 8
ID FL5FEAGS0009
KNApSAcK_ID C00005320
NAME 6-Methoxykaempferol 4'-rhamnoside
CAS_RN 124962-14-7
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES C(O)(C(C)1)C(C(C(Oc(c2)ccc(C(=C(O)3)Oc(c4)c(c(c(OC)c4O)O)C3=O)c2)O1)O)O
M END
