Mol:FL5FCAGS0004
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 |
| − | -1.1133 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1133 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1133 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1133 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5570 -0.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5570 -0.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0007 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0007 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0007 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0007 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5570 1.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5570 1.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5556 -0.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5556 -0.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1119 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1119 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1119 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1119 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5556 1.0419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5556 1.0419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5556 -0.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5556 -0.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6680 1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6680 1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2350 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2350 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8019 1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8019 1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8019 1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8019 1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2350 2.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2350 2.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6680 1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6680 1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5453 -0.3551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5453 -0.3551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5570 -0.8850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5570 -0.8850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4359 2.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4359 2.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8163 -1.1024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.8163 -1.1024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.3687 -1.6931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.3687 -1.6931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.7242 -1.4425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.7242 -1.4425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.1023 -1.4358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.1023 -1.4358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.5542 -0.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5542 -0.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1181 -1.2814 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.1181 -1.2814 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.4359 -1.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4359 -1.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0664 -1.7271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0664 -1.7271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3550 -2.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3550 -2.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4705 1.3394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4705 1.3394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9705 2.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9705 2.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2698 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2698 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2146 -0.1643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2146 -0.1643 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 |
| − | 8 18 1 0 0 0 0 | + | 8 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 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 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 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 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 35 -2.2698 -0.4919 | + | M SVB 2 35 -2.2698 -0.4919 |
| − | 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 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 33 -1.4705 1.3394 | + | M SVB 1 33 -1.4705 1.3394 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FCAGS0004 | + | ID FL5FCAGS0004 |
| − | KNApSAcK_ID C00005274 | + | KNApSAcK_ID C00005274 |
| − | NAME Rhamnocitrin 5-glucoside | + | NAME Rhamnocitrin 5-glucoside |
| − | CAS_RN 93091-77-1 | + | CAS_RN 93091-77-1 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES c(c23)c(OC)cc(c(C(C(=C(c(c4)ccc(c4)O)O3)O)=O)2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O | + | SMILES c(c23)c(OC)cc(c(C(C(=C(c(c4)ccc(c4)O)O3)O)=O)2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O |
M END | M END | ||
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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
-1.1133 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1133 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5570 -0.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0007 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0007 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5570 1.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5556 -0.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1119 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1119 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5556 1.0419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5556 -0.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6680 1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2350 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8019 1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8019 1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2350 2.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6680 1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5453 -0.3551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5570 -0.8850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4359 2.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8163 -1.1024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3687 -1.6931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7242 -1.4425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1023 -1.4358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5542 -0.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1181 -1.2814 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.4359 -1.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0664 -1.7271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3550 -2.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4705 1.3394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9705 2.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2698 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2146 -0.1643 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
8 18 1 0 0 0 0
3 19 1 0 0 0 0
20 15 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 19 1 0 0 0 0
1 30 1 0 0 0 0
30 31 1 0 0 0 0
26 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 CH2OH
M SVB 2 35 -2.2698 -0.4919
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 -1.4705 1.3394
S SKP 8
ID FL5FCAGS0004
KNApSAcK_ID C00005274
NAME Rhamnocitrin 5-glucoside
CAS_RN 93091-77-1
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES c(c23)c(OC)cc(c(C(C(=C(c(c4)ccc(c4)O)O3)O)=O)2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O
M END
