Mol:FLIAAANI0013
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 |
| − | -2.0479 -1.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0479 -1.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3817 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3817 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3817 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3817 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0479 0.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0479 0.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7140 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7140 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7140 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7140 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7156 -1.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7156 -1.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0495 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0495 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0495 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0495 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7156 0.3945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7156 0.3945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6621 -1.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6621 -1.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6621 -1.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6621 -1.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3264 -2.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3264 -2.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9907 -1.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9907 -1.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9907 -1.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9907 -1.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3264 -0.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3264 -0.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0479 0.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0479 0.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6230 1.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6230 1.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6230 2.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6230 2.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1647 2.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1647 2.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1961 2.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1961 2.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7156 -1.7874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7156 -1.7874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0479 -1.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0479 -1.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2734 0.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2734 0.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8794 0.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8794 0.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5110 -2.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5110 -2.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6690 -0.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6690 -0.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6690 -0.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6690 -0.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3437 0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3437 0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3437 0.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3437 0.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8794 -0.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8794 -0.0221 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 3 1 0 0 0 0 | + | 10 3 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 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 |
| − | 4 17 1 0 0 0 0 | + | 4 17 1 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 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 7 22 2 0 0 0 0 | + | 7 22 2 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 5 24 1 0 0 0 0 | + | 5 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 15 27 1 0 0 0 0 | + | 15 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 FLIAAANI0013 | + | ID FLIAAANI0013 |
| − | KNApSAcK_ID C00011152 | + | KNApSAcK_ID C00011152 |
| − | NAME 7-O-Methylisolupalbigenin | + | NAME 7-O-Methylisolupalbigenin |
| − | CAS_RN 405297-97-4 | + | CAS_RN 405297-97-4 |
| − | FORMULA C26H28O5 | + | FORMULA C26H28O5 |
| − | EXACTMASS 420.193674006 | + | EXACTMASS 420.193674006 |
| − | AVERAGEMASS 420.49752 | + | AVERAGEMASS 420.49752 |
| − | SMILES c(C(C(=O)3)=COc(c32)c(CC=C(C)C)c(cc2O)OC)(c1)ccc(c1CC=C(C)C)O | + | SMILES c(C(C(=O)3)=COc(c32)c(CC=C(C)C)c(cc2O)OC)(c1)ccc(c1CC=C(C)C)O |
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
-2.0479 -1.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3817 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3817 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0479 0.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7140 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7140 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7156 -1.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0495 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0495 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7156 0.3945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6621 -1.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6621 -1.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3264 -2.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9907 -1.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9907 -1.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3264 -0.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0479 0.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6230 1.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6230 2.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1647 2.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1961 2.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7156 -1.7874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0479 -1.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2734 0.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8794 0.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5110 -2.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6690 -0.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6690 -0.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3437 0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3437 0.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8794 -0.0221 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
2 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 3 1 0 0 0 0
8 11 1 0 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
4 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
19 21 1 0 0 0 0
7 22 2 0 0 0 0
1 23 1 0 0 0 0
5 24 1 0 0 0 0
24 25 1 0 0 0 0
14 26 1 0 0 0 0
15 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 FLIAAANI0013
KNApSAcK_ID C00011152
NAME 7-O-Methylisolupalbigenin
CAS_RN 405297-97-4
FORMULA C26H28O5
EXACTMASS 420.193674006
AVERAGEMASS 420.49752
SMILES c(C(C(=O)3)=COc(c32)c(CC=C(C)C)c(cc2O)OC)(c1)ccc(c1CC=C(C)C)O
M END
