Mol:FLIAAANI0003
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 |
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| − | -1.4489 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4489 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8926 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8926 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3363 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3363 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3363 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3363 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8926 2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8926 2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2200 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2200 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7763 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7763 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7763 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7763 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2200 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2200 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3324 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3324 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3324 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3324 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9272 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9272 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5220 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5220 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5220 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5220 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9272 1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9272 1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2200 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2200 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8926 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8926 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0052 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0052 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1162 -0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1162 -0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0052 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0052 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.5613 -0.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5613 -0.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1162 0.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1162 0.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.9284 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9284 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1144 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1144 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
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| − | 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 2 1 0 0 0 0 | + | 19 2 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
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| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
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| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANI0003 | + | ID FLIAAANI0003 |
| − | KNApSAcK_ID C00009515 | + | KNApSAcK_ID C00009515 |
| − | NAME Lupalbigenin;5,7,4'-Trihydroxy-6,3'-diprenylisoflavone | + | NAME Lupalbigenin;5,7,4'-Trihydroxy-6,3'-diprenylisoflavone |
| − | CAS_RN 76754-24-0 | + | CAS_RN 76754-24-0 |
| − | FORMULA C25H26O5 | + | FORMULA C25H26O5 |
| − | EXACTMASS 406.178023942 | + | EXACTMASS 406.178023942 |
| − | AVERAGEMASS 406.47094 | + | AVERAGEMASS 406.47094 |
| − | SMILES O(c23)C=C(C(c2c(c(CC=C(C)C)c(c3)O)O)=O)c(c1)cc(c(c1)O)CC=C(C)C | + | SMILES O(c23)C=C(C(c2c(c(CC=C(C)C)c(c3)O)O)=O)c(c1)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
-1.4489 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4489 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8926 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3363 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3363 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8926 2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2200 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7763 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7763 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2200 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3324 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3324 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9272 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5220 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5220 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9272 1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2200 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8926 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0052 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1162 -0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0052 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0052 0.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5613 -0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5613 -0.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1162 0.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9272 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5214 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5214 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9284 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1144 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 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
3 18 1 0 0 0 0
19 2 1 0 0 0 0
14 20 1 0 0 0 0
21 1 1 0 0 0 0
19 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
13 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FLIAAANI0003
KNApSAcK_ID C00009515
NAME Lupalbigenin;5,7,4'-Trihydroxy-6,3'-diprenylisoflavone
CAS_RN 76754-24-0
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES O(c23)C=C(C(c2c(c(CC=C(C)C)c(c3)O)O)=O)c(c1)cc(c(c1)O)CC=C(C)C
M END
