Mol:FL5FCAGL0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.9057 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9057 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9057 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9057 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3494 -0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3494 -0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7931 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7931 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7931 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7931 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3494 1.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3494 1.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2368 -0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2368 -0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6805 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6805 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6805 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6805 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2368 1.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2368 1.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2368 -0.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2368 -0.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0200 1.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0200 1.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5870 0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5870 0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1539 1.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1539 1.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1539 1.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1539 1.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5870 2.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5870 2.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0200 1.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0200 1.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3494 -0.7796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3494 -0.7796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7608 2.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7608 2.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1468 -0.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1468 -0.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4912 0.0519 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.4912 0.0519 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.1904 -0.4692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.1904 -0.4692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.7688 -0.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7688 -0.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3508 -0.4692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.3508 -0.4692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.6517 0.0519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.6517 0.0519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.0732 -0.1134 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.0732 -0.1134 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.9325 -0.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9325 -0.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1147 0.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1147 0.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0061 0.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0061 0.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8940 -0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8940 -0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9608 -1.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9608 -1.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7261 -1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7261 -1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1719 -1.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1719 -1.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9353 -2.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9353 -2.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2629 1.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2629 1.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7628 2.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7628 2.3110 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 |
| − | 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 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 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 1 35 1 0 0 0 0 | + | 1 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 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 35 36 | + | M SAL 1 2 35 36 |
| − | M SBL 1 1 38 | + | M SBL 1 1 38 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 38 -3.2629 1.4449 | + | M SVB 1 38 -3.2629 1.4449 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FCAGL0007 | + | ID FL5FCAGL0007 |
| − | KNApSAcK_ID C00005927 | + | KNApSAcK_ID C00005927 |
| − | NAME Rhamnocitrin 3-(6''-acetylglucoside) | + | NAME Rhamnocitrin 3-(6''-acetylglucoside) |
| − | CAS_RN 123442-25-1 | + | CAS_RN 123442-25-1 |
| − | FORMULA C24H24O12 | + | FORMULA C24H24O12 |
| − | EXACTMASS 504.126776232 | + | EXACTMASS 504.126776232 |
| − | AVERAGEMASS 504.44016 | + | AVERAGEMASS 504.44016 |
| − | SMILES O(C)c(c1)cc(O)c(C2=O)c1OC(c(c4)ccc(c4)O)=C2O[C@H](O3)C(O)C(O)[C@@H](O)[C@H]3COC(C)=O | + | SMILES O(C)c(c1)cc(O)c(C2=O)c1OC(c(c4)ccc(c4)O)=C2O[C@H](O3)C(O)C(O)[C@@H](O)[C@H]3COC(C)=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/
36 39 0 0 0 0 0 0 0 0999 V2000
-2.9057 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9057 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3494 -0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7931 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7931 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3494 1.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2368 -0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6805 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6805 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2368 1.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2368 -0.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0200 1.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5870 0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1539 1.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1539 1.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5870 2.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0200 1.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3494 -0.7796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7608 2.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1468 -0.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4912 0.0519 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.1904 -0.4692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7688 -0.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3508 -0.4692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6517 0.0519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0732 -0.1134 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.9325 -0.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1147 0.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0061 0.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8940 -0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9608 -1.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7261 -1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1719 -1.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9353 -2.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2629 1.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7628 2.3110 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
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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
4 3 1 0 0 0 0
20 8 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
24 30 1 0 0 0 0
22 20 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
1 35 1 0 0 0 0
35 36 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 35 36
M SBL 1 1 38
M SMT 1 OCH3
M SVB 1 38 -3.2629 1.4449
S SKP 8
ID FL5FCAGL0007
KNApSAcK_ID C00005927
NAME Rhamnocitrin 3-(6''-acetylglucoside)
CAS_RN 123442-25-1
FORMULA C24H24O12
EXACTMASS 504.126776232
AVERAGEMASS 504.44016
SMILES O(C)c(c1)cc(O)c(C2=O)c1OC(c(c4)ccc(c4)O)=C2O[C@H](O3)C(O)C(O)[C@@H](O)[C@H]3COC(C)=O
M END
