Mol:FL64A9GM0001
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 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
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| − | 1.6343 1.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6343 1.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.9237 0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9237 0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.1482 1.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1482 1.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.2015 -1.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2015 -1.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.5550 -1.8558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5550 -1.8558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5243 -2.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5243 -2.5264 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 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 2 0 0 0 0 | + | 3 7 2 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 4 2 0 0 0 0 | + | 10 4 2 0 0 0 0 |
| − | 1 11 1 6 0 0 0 | + | 1 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 |
| − | 5 17 1 1 0 0 0 | + | 5 17 1 1 0 0 0 |
| − | 7 18 1 0 0 0 0 | + | 7 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 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 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 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 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 9 31 1 0 0 0 0 | + | 9 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 10 33 1 0 0 0 0 | + | 10 33 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 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 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
| − | 36 44 1 0 0 0 0 | + | 36 44 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL64A9GM0001 | + | ID FL64A9GM0001 |
| − | KNApSAcK_ID C00013266 | + | KNApSAcK_ID C00013266 |
| − | NAME Pneumatopterin A;4'-Demethoxytriphyllin A;bis-(2S,4R)-3,4-dihydro-4-hydroxy-6-(hydroxymethyl)-8-methyl-2-phenyl-2H-1-benzopyran-5,7-diyl beta-D-Glucopyranoside | + | NAME Pneumatopterin A;4'-Demethoxytriphyllin A;bis-(2S,4R)-3,4-dihydro-4-hydroxy-6-(hydroxymethyl)-8-methyl-2-phenyl-2H-1-benzopyran-5,7-diyl beta-D-Glucopyranoside |
| − | CAS_RN 192643-12-2 | + | CAS_RN 192643-12-2 |
| − | FORMULA C29H38O15 | + | FORMULA C29H38O15 |
| − | EXACTMASS 626.221070546 | + | EXACTMASS 626.221070546 |
| − | AVERAGEMASS 626.60302 | + | AVERAGEMASS 626.60302 |
| − | SMILES O(C(C(O)5)OC(CO)C(C(O)5)O)c(c(CO)1)c(c(O3)c(C(CC3c(c4)cccc4)O)c1OC(C2O)OC(CO)C(O)C2O)C | + | SMILES O(C(C(O)5)OC(CO)C(C(O)5)O)c(c(CO)1)c(c(O3)c(C(CC3c(c4)cccc4)O)c1OC(C2O)OC(CO)C(O)C2O)C |
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 48 0 0 0 0 0 0 0 0999 V2000
2.3448 0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6343 1.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9237 0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9237 0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6343 -0.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3448 0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2131 1.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4975 0.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4975 0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2131 -0.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1482 1.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8359 0.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5236 1.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5236 2.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8359 2.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1482 2.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6343 -1.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2131 1.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1342 1.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7753 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3628 0.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5648 0.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.2545 -0.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.2131 -1.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4121 -1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9996 -2.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2015 -1.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4083 -2.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8207 -1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6189 -1.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7954 -1.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.5243 -2.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
3 7 2 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 4 2 0 0 0 0
1 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
5 17 1 1 0 0 0
7 18 1 0 0 0 0
8 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
19 23 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
9 31 1 0 0 0 0
31 32 1 0 0 0 0
10 33 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 44 1 0 0 0 0
33 37 1 0 0 0 0
S SKP 8
ID FL64A9GM0001
KNApSAcK_ID C00013266
NAME Pneumatopterin A;4'-Demethoxytriphyllin A;bis-(2S,4R)-3,4-dihydro-4-hydroxy-6-(hydroxymethyl)-8-methyl-2-phenyl-2H-1-benzopyran-5,7-diyl beta-D-Glucopyranoside
CAS_RN 192643-12-2
FORMULA C29H38O15
EXACTMASS 626.221070546
AVERAGEMASS 626.60302
SMILES O(C(C(O)5)OC(CO)C(C(O)5)O)c(c(CO)1)c(c(O3)c(C(CC3c(c4)cccc4)O)c1OC(C2O)OC(CO)C(O)C2O)C
M END
