Mol:FLIAALNI0020
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
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| − | -1.4083 -0.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4083 -0.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8520 -0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8520 -0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2957 -0.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2957 -0.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2957 0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2957 0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8520 0.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8520 0.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2606 -0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2606 -0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8169 -0.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8169 -0.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8169 0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8169 0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2606 0.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2606 0.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.3730 -1.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3730 -1.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9678 -1.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9678 -1.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5626 -1.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5626 -1.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5626 -0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5626 -0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9678 -0.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9678 -0.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9644 0.5659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9644 0.5659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2606 -1.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2606 -1.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1106 -2.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1106 -2.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7936 -2.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7936 -2.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0730 -1.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0730 -1.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8520 -1.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8520 -1.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9644 -0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9644 -0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9678 0.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9678 0.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9644 -1.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9644 -1.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.9642 2.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9642 2.4924 0.0000 C 0 0 0 0 0 0 0 0 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 14 1 0 0 0 0 | + | 21 14 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 6 29 1 0 0 0 0 | + | 6 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNI0020 | + | ID FLIAALNI0020 |
| − | KNApSAcK_ID C00009941 | + | KNApSAcK_ID C00009941 |
| − | NAME Euchrenone b5;5,7,2'-Trihydroxy-4',5'-methylenedioxy-6,8-diprenylisoflavone | + | NAME Euchrenone b5;5,7,2'-Trihydroxy-4',5'-methylenedioxy-6,8-diprenylisoflavone |
| − | CAS_RN 121795-47-9 | + | CAS_RN 121795-47-9 |
| − | FORMULA C26H26O7 | + | FORMULA C26H26O7 |
| − | EXACTMASS 450.167853186 | + | EXACTMASS 450.167853186 |
| − | AVERAGEMASS 450.48043999999993 | + | AVERAGEMASS 450.48043999999993 |
| − | SMILES O(c21)COc(cc(C(=C4)C(=O)c(c(O4)3)c(c(c(O)c3CC=C(C)C)CC=C(C)C)O)c(O)c2)1 | + | SMILES O(c21)COc(cc(C(=C4)C(=O)c(c(O4)3)c(c(c(O)c3CC=C(C)C)CC=C(C)C)O)c(O)c2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.4083 0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4083 -0.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8520 -0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2957 -0.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2957 0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8520 0.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2606 -0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8169 -0.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8169 0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2606 0.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3730 -0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3730 -1.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9678 -1.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5626 -1.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5626 -0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9678 -0.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9644 0.5659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2606 -1.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1106 -2.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7936 -2.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0730 -1.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8520 -1.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9644 -0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9678 0.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9644 -1.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5193 -1.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5193 -2.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0730 -1.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8520 1.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4081 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4081 2.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8520 2.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9642 2.4924 0.0000 C 0 0 0 0 0 0 0 0 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
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
1 2 1 0 0 0 0
1 17 1 0 0 0 0
7 18 2 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 14 1 0 0 0 0
3 22 1 0 0 0 0
2 23 1 0 0 0 0
16 24 1 0 0 0 0
23 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
6 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
31 33 1 0 0 0 0
S SKP 8
ID FLIAALNI0020
KNApSAcK_ID C00009941
NAME Euchrenone b5;5,7,2'-Trihydroxy-4',5'-methylenedioxy-6,8-diprenylisoflavone
CAS_RN 121795-47-9
FORMULA C26H26O7
EXACTMASS 450.167853186
AVERAGEMASS 450.48043999999993
SMILES O(c21)COc(cc(C(=C4)C(=O)c(c(O4)3)c(c(c(O)c3CC=C(C)C)CC=C(C)C)O)c(O)c2)1
M END
