Mol:FL2FABGM0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 47 0 0 0 0 0 0 0 0999 V2000 | + | 44 47 0 0 0 0 0 0 0 0999 V2000 |
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| − | 1.3875 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3875 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 4.9025 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9025 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6154 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6154 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 4.8961 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8961 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1833 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1833 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8248 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8248 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0494 0.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0494 0.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.8730 0.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8730 0.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7974 -0.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7974 -0.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -5.0320 1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0320 1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5644 1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5644 1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -6.8026 1.6431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.8026 1.6431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
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| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
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| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 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 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 14 32 1 0 0 0 0 | + | 14 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 34 28 1 0 0 0 0 | + | 34 28 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 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 38 41 1 0 0 0 0 | + | 38 41 1 0 0 0 0 |
| − | 38 42 1 0 0 0 0 | + | 38 42 1 0 0 0 0 |
| − | 40 43 1 0 0 0 0 | + | 40 43 1 0 0 0 0 |
| − | 40 44 2 0 0 0 0 | + | 40 44 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FABGM0005 | + | ID FL2FABGM0005 |
| − | KNApSAcK_ID C00014358 | + | KNApSAcK_ID C00014358 |
| − | NAME Matterionate A;Matteuorienate A;5,7-Dihydroxy-4'-methoxy-6,8-di-C-methylflavanone 7-[6-(3-hydroxy-3-methylglutaryl)glucoside] | + | NAME Matterionate A;Matteuorienate A;5,7-Dihydroxy-4'-methoxy-6,8-di-C-methylflavanone 7-[6-(3-hydroxy-3-methylglutaryl)glucoside] |
| − | CAS_RN 161161-68-8 | + | CAS_RN 161161-68-8 |
| − | FORMULA C30H36O14 | + | FORMULA C30H36O14 |
| − | EXACTMASS 620.21050586 | + | EXACTMASS 620.21050586 |
| − | AVERAGEMASS 620.59844 | + | AVERAGEMASS 620.59844 |
| − | SMILES C(C4)(Oc(c3C(=O)4)c(c(c(c3O)C)OC(O2)C(O)C(O)C(C(COC(=O)CC(CC(O)=O)(C)O)2)O)C)c(c1)ccc(c1)OC | + | SMILES C(C4)(Oc(c3C(=O)4)c(c(c(c3O)C)OC(O2)C(O)C(O)C(C(COC(=O)CC(CC(O)=O)(C)O)2)O)C)c(c1)ccc(c1)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
44 47 0 0 0 0 0 0 0 0999 V2000
0.6748 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3875 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6780 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3948 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1074 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1037 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8237 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5363 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5327 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8164 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1864 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9025 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6154 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6122 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8961 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1833 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8248 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0494 0.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3948 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0192 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3875 1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8369 0.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4243 -0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6259 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8325 -0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2450 0.6663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0434 0.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4209 1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3201 0.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8730 0.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7974 -0.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1991 1.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8026 1.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1139 1.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7024 1.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7024 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3971 1.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0320 1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5644 1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1599 1.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7185 0.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3982 0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8026 1.6431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1599 0.6236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 1 0 0 0 0
9 11 1 6 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
4 19 1 0 0 0 0
3 20 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
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
14 32 1 0 0 0 0
32 33 1 0 0 0 0
25 18 1 0 0 0 0
34 28 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
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
38 41 1 0 0 0 0
38 42 1 0 0 0 0
40 43 1 0 0 0 0
40 44 2 0 0 0 0
S SKP 8
ID FL2FABGM0005
KNApSAcK_ID C00014358
NAME Matterionate A;Matteuorienate A;5,7-Dihydroxy-4'-methoxy-6,8-di-C-methylflavanone 7-[6-(3-hydroxy-3-methylglutaryl)glucoside]
CAS_RN 161161-68-8
FORMULA C30H36O14
EXACTMASS 620.21050586
AVERAGEMASS 620.59844
SMILES C(C4)(Oc(c3C(=O)4)c(c(c(c3O)C)OC(O2)C(O)C(O)C(C(COC(=O)CC(CC(O)=O)(C)O)2)O)C)c(c1)ccc(c1)OC
M END
