Mol:FLIAALND0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 36 0 0 0 0 0 0 0 0999 V2000 | + | 32 36 0 0 0 0 0 0 0 0999 V2000 |
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| − | -2.3599 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3599 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8036 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8036 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2473 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2473 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2473 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2473 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8036 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8036 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6910 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6910 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1347 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1347 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1347 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1347 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6910 0.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6910 0.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4214 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4214 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4214 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4214 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0161 -1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0161 -1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6109 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6109 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6109 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6109 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0161 0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0161 0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6910 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6910 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9160 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9160 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9160 0.9974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9160 0.9974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8036 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8036 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2641 -1.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2641 -1.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6678 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6678 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2641 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2641 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3539 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3539 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.4721 1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4721 1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0401 0.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0401 0.3483 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 |
| − | 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 15 1 0 0 0 0 | + | 23 15 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 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 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 19 28 1 0 0 0 0 | + | 19 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 18 2 0 0 0 0 | + | 29 18 2 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 16 32 1 0 0 0 0 | + | 16 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALND0001 | + | ID FLIAALND0001 |
| − | KNApSAcK_ID C00009930 | + | KNApSAcK_ID C00009930 |
| − | NAME Lupinisoflavone L | + | NAME Lupinisoflavone L |
| − | CAS_RN 128700-27-6 | + | CAS_RN 128700-27-6 |
| − | FORMULA C25H24O7 | + | FORMULA C25H24O7 |
| − | EXACTMASS 436.152203122 | + | EXACTMASS 436.152203122 |
| − | AVERAGEMASS 436.45385999999996 | + | AVERAGEMASS 436.45385999999996 |
| − | SMILES c(O)(c54)c(c1cc(OC(C=C5)(C)C)4)C(=O)C(c(c(O)2)ccc(O3)c2CC3C(C)(C)O)=CO1 | + | SMILES c(O)(c54)c(c1cc(OC(C=C5)(C)C)4)C(=O)C(c(c(O)2)ccc(O3)c2CC3C(C)(C)O)=CO1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 36 0 0 0 0 0 0 0 0999 V2000
-2.3599 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3599 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8036 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2473 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2473 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8036 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6910 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1347 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1347 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6910 0.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4214 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4214 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0161 -1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6109 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6109 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0161 0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6910 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9160 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9160 0.9974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8036 -0.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2641 -1.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6678 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2641 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3539 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6970 -1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6970 -0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0401 -0.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4721 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4721 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4721 1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0401 0.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0161 0.7425 0.0000 O 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
7 17 2 0 0 0 0
2 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 15 1 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
24 27 1 0 0 0 0
19 28 1 0 0 0 0
28 29 1 0 0 0 0
29 18 2 0 0 0 0
28 30 1 0 0 0 0
28 31 1 0 0 0 0
16 32 1 0 0 0 0
S SKP 8
ID FLIAALND0001
KNApSAcK_ID C00009930
NAME Lupinisoflavone L
CAS_RN 128700-27-6
FORMULA C25H24O7
EXACTMASS 436.152203122
AVERAGEMASS 436.45385999999996
SMILES c(O)(c54)c(c1cc(OC(C=C5)(C)C)4)C(=O)C(c(c(O)2)ccc(O3)c2CC3C(C)(C)O)=CO1
M END
