Mol:FL2FA9GM0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 45 0 0 0 0 0 0 0 0999 V2000 | + | 42 45 0 0 0 0 0 0 0 0999 V2000 |
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| − | 2.1727 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1727 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4633 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4633 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1801 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1801 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8927 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8927 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8890 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8890 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6090 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6090 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3216 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3216 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3180 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3180 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6017 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6017 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9717 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9717 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6878 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6878 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4007 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4007 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3975 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3975 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6814 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6814 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9686 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9686 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6101 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6101 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8346 0.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8346 0.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1801 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1801 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.8407 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8407 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0472 -0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0472 -0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4597 0.6663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4597 0.6663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2581 0.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2581 0.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4151 1.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4151 1.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2085 1.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2085 1.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5348 0.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5348 0.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0877 0.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0877 0.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0121 -0.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0121 -0.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9483 1.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9483 1.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9483 0.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9483 0.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5891 1.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5891 1.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3370 0.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3370 0.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9977 0.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9977 0.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8313 0.5018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8313 0.5018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0056 1.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0056 1.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7720 0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7720 0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7720 0.3089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7720 0.3089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.4007 1.3027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.4007 1.3027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 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 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 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 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 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 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 29 33 1 0 0 0 0 | + | 29 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
| − | 40 42 1 0 0 0 0 | + | 40 42 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9GM0004 | + | ID FL2FA9GM0004 |
| − | KNApSAcK_ID C00014353 | + | KNApSAcK_ID C00014353 |
| − | NAME Matteuorienate B; Matterionate B;5,7-Dihydroxy-6,8-di-C-methylflavanone 7-[6-(3-hydroxy-3-methylglutaryl)glucoside] | + | NAME Matteuorienate B; Matterionate B;5,7-Dihydroxy-6,8-di-C-methylflavanone 7-[6-(3-hydroxy-3-methylglutaryl)glucoside] |
| − | CAS_RN 161161-69-9 | + | CAS_RN 161161-69-9 |
| − | FORMULA C29H34O13 | + | FORMULA C29H34O13 |
| − | EXACTMASS 590.199941174 | + | EXACTMASS 590.199941174 |
| − | AVERAGEMASS 590.57246 | + | AVERAGEMASS 590.57246 |
| − | SMILES c(c1C(C4)Oc(c2C4=O)c(C)c(OC(C(O)3)OC(C(O)C3O)COC(=O)CC(C)(O)CC(O)=O)c(C)c(O)2)cccc1 | + | SMILES c(c1C(C4)Oc(c2C4=O)c(C)c(OC(C(O)3)OC(C(O)C3O)COC(=O)CC(C)(O)CC(O)=O)c(C)c(O)2)cccc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 45 0 0 0 0 0 0 0 0999 V2000
1.4601 0.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1727 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4633 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1801 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8927 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8890 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6090 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3216 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3180 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6017 0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9717 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6878 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4007 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3975 1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6814 1.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9686 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6101 -1.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8346 0.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1801 -1.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7661 -1.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1727 1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0516 0.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6390 -0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8407 0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0472 -0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4597 0.6663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2581 0.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4151 1.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2085 1.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5348 0.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0877 0.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0121 -0.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9483 1.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9483 0.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5891 1.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3370 0.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9977 0.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8313 0.5018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0056 1.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7720 0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7720 0.3089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4007 1.3027 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
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 18 1 0 0 0 0
29 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
36 38 1 0 0 0 0
36 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
40 42 1 0 0 0 0
S SKP 8
ID FL2FA9GM0004
KNApSAcK_ID C00014353
NAME Matteuorienate B; Matterionate B;5,7-Dihydroxy-6,8-di-C-methylflavanone 7-[6-(3-hydroxy-3-methylglutaryl)glucoside]
CAS_RN 161161-69-9
FORMULA C29H34O13
EXACTMASS 590.199941174
AVERAGEMASS 590.57246
SMILES c(c1C(C4)Oc(c2C4=O)c(C)c(OC(C(O)3)OC(C(O)C3O)COC(=O)CC(C)(O)CC(O)=O)c(C)c(O)2)cccc1
M END
