Mol:FL5FADGS0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3903 -2.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3903 -2.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1189 -2.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1189 -2.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4789 -2.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4789 -2.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1105 -2.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1105 -2.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3820 -1.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3820 -1.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0219 -1.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0219 -1.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4706 -2.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4706 -2.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1021 -1.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1021 -1.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3736 -1.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3736 -1.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0136 -1.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0136 -1.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2589 -2.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2589 -2.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0053 -0.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0053 -0.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6469 -0.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6469 -0.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0224 -0.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0224 -0.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7458 0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7458 0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0935 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0935 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2820 -0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2820 -0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0300 -2.1957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0300 -2.1957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -3.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -3.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6521 0.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6521 0.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5375 -1.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5375 -1.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0491 1.5547 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.0491 1.5547 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.7537 1.0430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.7537 1.0430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.3217 1.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3217 1.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8932 1.0430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8932 1.0430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.1887 1.5547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.1887 1.5547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.6206 1.3924 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.6206 1.3924 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.8550 2.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8550 2.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6614 1.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6614 1.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6149 1.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6149 1.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1069 0.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1069 0.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1277 1.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1277 1.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0878 0.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0878 0.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0878 -0.0657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0878 -0.0657 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 36 3.2362 1.0697 | + | M SVB 2 36 3.2362 1.0697 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 0.2371 1.6874 | + | M SVB 1 34 0.2371 1.6874 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FADGS0010 | + | ID FL5FADGS0010 |
| − | KNApSAcK_ID C00005532 | + | KNApSAcK_ID C00005532 |
| − | NAME Isorhamnetin 4'-glucoside | + | NAME Isorhamnetin 4'-glucoside |
| − | CAS_RN 58902-89-9 | + | CAS_RN 58902-89-9 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES OC(C4O)[C@@H](O[C@H](CO)[C@@H]4O)Oc(c3)c(OC)cc(c3)C(=C1O)Oc(c2)c(c(O)cc2O)C1=O | + | SMILES OC(C4O)[C@@H](O[C@H](CO)[C@@H]4O)Oc(c3)c(OC)cc(c3)C(=C1O)Oc(c2)c(c(O)cc2O)C1=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-2.3903 -2.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1189 -2.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4789 -2.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1105 -2.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3820 -1.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0219 -1.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4706 -2.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1021 -1.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3736 -1.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0136 -1.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2589 -2.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0053 -0.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6469 -0.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0224 -0.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7458 0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0935 0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2820 -0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0300 -2.1957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -3.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6521 0.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5375 -1.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0491 1.5547 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.7537 1.0430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3217 1.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8932 1.0430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1887 1.5547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6206 1.3924 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.8550 2.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6614 1.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6149 1.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1069 0.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1277 1.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 0.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -0.0657 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 15 1 0 0 0 0
8 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
20 23 1 0 0 0 0
16 31 1 0 0 0 0
31 32 1 0 0 0 0
25 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 CH2OH
M SVB 2 36 3.2362 1.0697
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 0.2371 1.6874
S SKP 8
ID FL5FADGS0010
KNApSAcK_ID C00005532
NAME Isorhamnetin 4'-glucoside
CAS_RN 58902-89-9
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES OC(C4O)[C@@H](O[C@H](CO)[C@@H]4O)Oc(c3)c(OC)cc(c3)C(=C1O)Oc(c2)c(c(O)cc2O)C1=O
M END
