Mol:FL5FADGA0020
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4745 -4.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4745 -4.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1582 -4.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1582 -4.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3779 -4.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3779 -4.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0350 -3.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0350 -3.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.0806 -3.1543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0806 -3.1543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.2736 -2.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2736 -2.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.4705 -0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4705 -0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1152 -1.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1152 -1.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3392 -1.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3392 -1.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9183 -2.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9183 -2.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2011 -1.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2011 -1.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6519 -0.3548 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.6519 -0.3548 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.2642 -1.0262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.2642 -1.0262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.0097 -0.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0097 -0.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7597 -1.0262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.7597 -1.0262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
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| − | 1.6707 -0.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6707 -0.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.0101 -3.9153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0101 -3.9153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.9161 -1.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9161 -1.2129 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
| − | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 33 35 2 0 0 0 0 | + | 33 35 2 0 0 0 0 |
| − | 16 36 1 0 0 0 0 | + | 16 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 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 36 37 | + | M SAL 1 2 36 37 |
| − | M SBL 1 1 39 | + | M SBL 1 1 39 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 39 0.3648 2.2257 | + | M SVB 1 39 0.3648 2.2257 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FADGA0020 | + | ID FL5FADGA0020 |
| − | KNApSAcK_ID C00006003 | + | KNApSAcK_ID C00006003 |
| − | NAME Isorhamnetin 3-(6''-acetylgalactoside) | + | NAME Isorhamnetin 3-(6''-acetylgalactoside) |
| − | CAS_RN 67214-09-9 | + | CAS_RN 67214-09-9 |
| − | FORMULA C24H24O13 | + | FORMULA C24H24O13 |
| − | EXACTMASS 520.121690854 | + | EXACTMASS 520.121690854 |
| − | AVERAGEMASS 520.43956 | + | AVERAGEMASS 520.43956 |
| − | SMILES O[C@@H]([C@H]4COC(C)=O)C(O)C(O)[C@@H](O4)OC(C1=O)=C(c(c3)cc(OC)c(c3)O)Oc(c2)c1c(O)cc2O | + | SMILES O[C@@H]([C@H]4COC(C)=O)C(O)C(O)[C@@H](O4)OC(C1=O)=C(c(c3)cc(OC)c(c3)O)Oc(c2)c1c(O)cc2O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
-0.4745 -4.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1582 -4.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3779 -4.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0350 -3.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6677 -3.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8874 -4.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1847 -2.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2282 -2.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8609 -2.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0806 -3.1543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6778 -2.8441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2736 -2.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0497 -1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4705 -0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1152 -1.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3392 -1.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9183 -2.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2011 -1.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6519 -0.3548 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2642 -1.0262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0097 -0.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7597 -1.0262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.1474 -0.3548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4019 -0.5678 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0752 -0.5496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6707 -0.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9071 0.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7580 -0.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0101 -3.9153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5639 -5.3781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3886 -1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7612 -1.6716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4775 -1.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8778 -0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7974 -2.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9558 -1.4918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9161 -1.2129 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
19 20 1 0 0 0 0
20 21 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
22 21 1 1 0 0 0
15 28 1 0 0 0 0
3 29 1 0 0 0 0
1 30 1 0 0 0 0
22 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 2 0 0 0 0
16 36 1 0 0 0 0
36 37 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 36 37
M SBL 1 1 39
M SMT 1 OCH3
M SVB 1 39 0.3648 2.2257
S SKP 8
ID FL5FADGA0020
KNApSAcK_ID C00006003
NAME Isorhamnetin 3-(6''-acetylgalactoside)
CAS_RN 67214-09-9
FORMULA C24H24O13
EXACTMASS 520.121690854
AVERAGEMASS 520.43956
SMILES O[C@@H]([C@H]4COC(C)=O)C(O)C(O)[C@@H](O4)OC(C1=O)=C(c(c3)cc(OC)c(c3)O)Oc(c2)c1c(O)cc2O
M END
