Mol:FL3FEAGS0014
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 41 0 0 0 0 0 0 0 0999 V2000 | + | 38 41 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.6321 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6321 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6321 -1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6321 -1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0832 -1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0832 -1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5342 -1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5342 -1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5342 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5342 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0832 -0.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0832 -0.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9853 -1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9853 -1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4363 -1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4363 -1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4363 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4363 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9853 -0.2409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9853 -0.2409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9853 -1.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9853 -1.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8872 -0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8872 -0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3470 -0.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3470 -0.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8067 -0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8067 -0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8067 0.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8067 0.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3470 0.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3470 0.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8872 0.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8872 0.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1812 -0.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1812 -0.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2663 0.5552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2663 0.5552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0832 -1.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0832 -1.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1820 -1.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1820 -1.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6819 -0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6819 -0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1663 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1663 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4238 -0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4238 -0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7073 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7073 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2279 -0.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2279 -0.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9864 -0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9864 -0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2584 -0.6264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2584 -0.6264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9701 -1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9701 -1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9983 -1.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9983 -1.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3582 0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3582 0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3582 0.8302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3582 0.8302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7654 1.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7654 1.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2521 0.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2521 0.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7116 1.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7116 1.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2663 0.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2663 0.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7116 1.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7116 1.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7654 1.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7654 1.6263 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 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 3 1 0 0 0 0 | + | 20 3 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 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 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 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 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 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
| − | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
| − | 33 38 2 0 0 0 0 | + | 33 38 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FEAGS0014 | + | ID FL3FEAGS0014 |
| − | KNApSAcK_ID C00004230 | + | KNApSAcK_ID C00004230 |
| − | NAME Scutellarein 7-(6''-malonylglucoside) | + | NAME Scutellarein 7-(6''-malonylglucoside) |
| − | CAS_RN 127350-67-8 | + | CAS_RN 127350-67-8 |
| − | FORMULA C24H22O14 | + | FORMULA C24H22O14 |
| − | EXACTMASS 534.100955412 | + | EXACTMASS 534.100955412 |
| − | AVERAGEMASS 534.42308 | + | AVERAGEMASS 534.42308 |
| − | SMILES O=C(CC(O)=O)OCC(C(O)1)OC(Oc(c(O)4)cc(c(c4O)2)OC(c(c3)ccc(c3)O)=CC(=O)2)C(C(O)1)O | + | SMILES O=C(CC(O)=O)OCC(C(O)1)OC(Oc(c(O)4)cc(c(c4O)2)OC(c(c3)ccc(c3)O)=CC(=O)2)C(C(O)1)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/
38 41 0 0 0 0 0 0 0 0999 V2000
0.6321 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6321 -1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0832 -1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5342 -1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5342 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0832 -0.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9853 -1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4363 -1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4363 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9853 -0.2409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9853 -1.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8872 -0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3470 -0.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8067 -0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8067 0.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3470 0.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8872 0.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1812 -0.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2663 0.5552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0832 -1.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1820 -1.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6819 -0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1663 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4238 -0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7073 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2279 -0.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9864 -0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2584 -0.6264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9701 -1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9983 -1.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3582 0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3582 0.8302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7654 1.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2521 0.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7116 1.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2663 0.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7116 1.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7654 1.6263 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
15 19 1 0 0 0 0
20 3 1 0 0 0 0
2 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 18 1 0 0 0 0
27 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
34 35 1 0 0 0 0
35 36 2 0 0 0 0
35 37 1 0 0 0 0
33 38 2 0 0 0 0
S SKP 8
ID FL3FEAGS0014
KNApSAcK_ID C00004230
NAME Scutellarein 7-(6''-malonylglucoside)
CAS_RN 127350-67-8
FORMULA C24H22O14
EXACTMASS 534.100955412
AVERAGEMASS 534.42308
SMILES O=C(CC(O)=O)OCC(C(O)1)OC(Oc(c(O)4)cc(c(c4O)2)OC(c(c3)ccc(c3)O)=CC(=O)2)C(C(O)1)O
M END
