Mol:FL2FALNI0034
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
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| − | -4.9306 -0.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9306 -0.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1535 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1535 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.7630 0.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7630 0.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3647 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3647 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6736 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6736 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0378 0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0378 0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0583 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0583 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6535 1.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6535 1.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3739 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3739 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7437 -1.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7437 -1.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6637 0.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6637 0.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7601 1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7601 1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1535 -1.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1535 -1.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6736 -0.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6736 -0.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8028 0.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8028 0.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4694 0.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4694 0.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.8906 0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8906 0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6535 0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6535 0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2911 0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2911 0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0242 0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0242 0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0242 -0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0242 -0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6637 0.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6637 0.3905 0.0000 C 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 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 1 1 0 0 0 0 | + | 6 1 1 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 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 5 1 0 0 0 0 | + | 10 5 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 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 12 21 1 0 0 0 0 | + | 12 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0034 | + | ID FL2FALNI0034 |
| − | KNApSAcK_ID C00014187 | + | KNApSAcK_ID C00014187 |
| − | NAME Sanggenol A;5,7,2',4'-Tetrahydroxy-3'-geranylflavanone | + | NAME Sanggenol A;5,7,2',4'-Tetrahydroxy-3'-geranylflavanone |
| − | CAS_RN 174423-30-4 | + | CAS_RN 174423-30-4 |
| − | FORMULA C25H28O6 | + | FORMULA C25H28O6 |
| − | EXACTMASS 424.188588628 | + | EXACTMASS 424.188588628 |
| − | AVERAGEMASS 424.48622 | + | AVERAGEMASS 424.48622 |
| − | SMILES C(=CCc(c1O)c(O)c(C(O3)CC(c(c23)c(cc(c2)O)O)=O)cc1)(C)CCC=C(C)C | + | SMILES C(=CCc(c1O)c(O)c(C(O3)CC(c(c23)c(cc(c2)O)O)=O)cc1)(C)CCC=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/
31 33 0 0 0 0 0 0 0 0999 V2000
-4.9492 0.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9306 -0.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1535 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4986 -0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4845 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2101 0.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7437 -1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0699 -0.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0791 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7630 0.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3647 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6736 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0378 0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0583 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6535 1.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3739 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7437 -1.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6637 0.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7601 1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1535 -1.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6736 -0.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8028 0.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4694 0.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1937 0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1937 -0.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8906 0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6535 0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2911 0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0242 0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0242 -0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6637 0.3905 0.0000 C 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 2 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
4 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 5 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
14 19 1 0 0 0 0
3 20 1 0 0 0 0
12 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL2FALNI0034
KNApSAcK_ID C00014187
NAME Sanggenol A;5,7,2',4'-Tetrahydroxy-3'-geranylflavanone
CAS_RN 174423-30-4
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES C(=CCc(c1O)c(O)c(C(O3)CC(c(c23)c(cc(c2)O)O)=O)cc1)(C)CCC=C(C)C
M END
