Mol:FL1CHYNP0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.4393 -0.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4393 -0.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0544 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0544 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0544 0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0544 0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4393 1.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4393 1.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8242 0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8242 0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8242 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8242 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2091 1.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2091 1.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5940 0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5940 0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5940 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5940 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2091 -0.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2091 -0.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9332 -0.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9332 -0.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3322 -0.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3322 -0.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2750 -0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2750 -0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8555 -0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8555 -0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8555 0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8555 0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4783 0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4783 0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1011 0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1011 0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1011 -0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1011 -0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4783 -0.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4783 -0.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6950 -0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6950 -0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3262 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3262 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9508 -0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9508 -0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9508 -1.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9508 -1.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5873 -0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5873 -0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7145 0.9692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7145 0.9692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3153 0.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3153 0.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3407 1.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3407 1.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5873 0.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5873 0.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2750 -0.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2750 -0.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9332 -0.9712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9332 -0.9712 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 |
| − | 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 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 17 25 1 0 0 0 0 | + | 17 25 1 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 3 28 1 0 0 0 0 | + | 3 28 1 0 0 0 0 |
| − | 13 29 2 0 0 0 0 | + | 13 29 2 0 0 0 0 |
| − | 11 30 2 0 0 0 0 | + | 11 30 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNP0009 | + | ID FL1CHYNP0009 |
| − | KNApSAcK_ID C00008116 | + | KNApSAcK_ID C00008116 |
| − | NAME Glycyrdione B | + | NAME Glycyrdione B |
| − | CAS_RN 142542-84-5 | + | CAS_RN 142542-84-5 |
| − | FORMULA C25H26O5 | + | FORMULA C25H26O5 |
| − | EXACTMASS 406.178023942 | + | EXACTMASS 406.178023942 |
| − | AVERAGEMASS 406.47094 | + | AVERAGEMASS 406.47094 |
| − | SMILES c(C(CC(=O)c(c3)cc(C=2)c(c3)OC(C2)(C)C)=O)(c1O)cc(c(c1)O)CC=C(C)C | + | SMILES c(C(CC(=O)c(c3)cc(C=2)c(c3)OC(C2)(C)C)=O)(c1O)cc(c(c1)O)CC=C(C)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/
30 32 0 0 0 0 0 0 0 0999 V2000
3.4393 -0.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0544 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0544 0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4393 1.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8242 0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8242 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2091 1.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5940 0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5940 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2091 -0.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9332 -0.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3322 -0.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2750 -0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8555 -0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8555 0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4783 0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1011 0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1011 -0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4783 -0.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6950 -0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3262 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9508 -0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9508 -1.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5873 -0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7145 0.9692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3153 0.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3407 1.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5873 0.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2750 -0.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9332 -0.9712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 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 2 0 0 0 0
6 1 1 0 0 0 0
5 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 6 1 0 0 0 0
9 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
17 25 1 0 0 0 0
15 26 1 0 0 0 0
3 27 1 0 0 0 0
3 28 1 0 0 0 0
13 29 2 0 0 0 0
11 30 2 0 0 0 0
S SKP 8
ID FL1CHYNP0009
KNApSAcK_ID C00008116
NAME Glycyrdione B
CAS_RN 142542-84-5
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES c(C(CC(=O)c(c3)cc(C=2)c(c3)OC(C2)(C)C)=O)(c1O)cc(c(c1)O)CC=C(C)C
M END
