Mol:FLIAALND0002
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 |
| − | -1.7837 0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7837 0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7837 0.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7837 0.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2274 0.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2274 0.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6711 0.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6711 0.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6711 0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6711 0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2274 1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2274 1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1148 0.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1148 0.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4415 0.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4415 0.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4415 0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4415 0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1148 1.3163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1148 1.3163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9976 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9976 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9976 -0.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9976 -0.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5924 -0.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5924 -0.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1871 -0.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1871 -0.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1871 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1871 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5924 0.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5924 0.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3946 1.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3946 1.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7722 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7722 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3946 0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3946 0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2274 -0.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2274 -0.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1148 -0.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1148 -0.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7814 0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7814 0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4143 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4143 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7354 0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7354 0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7354 1.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7354 1.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7814 -0.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7814 -0.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0080 0.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0080 0.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3756 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3756 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5924 1.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5924 1.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3756 -0.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3756 -0.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3756 -1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3756 -1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0080 -0.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0080 -0.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 2 1 0 0 0 0 | + | 19 2 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 7 21 2 0 0 0 0 | + | 7 21 2 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 22 28 2 0 0 0 0 | + | 22 28 2 0 0 0 0 |
| − | 16 29 1 0 0 0 0 | + | 16 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 28 1 0 0 0 0 | + | 30 28 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALND0002 | + | ID FLIAALND0002 |
| − | KNApSAcK_ID C00009934 | + | KNApSAcK_ID C00009934 |
| − | NAME Lupinisoflavone K | + | NAME Lupinisoflavone K |
| − | CAS_RN 128700-26-5 | + | CAS_RN 128700-26-5 |
| − | FORMULA C25H24O7 | + | FORMULA C25H24O7 |
| − | EXACTMASS 436.152203122 | + | EXACTMASS 436.152203122 |
| − | AVERAGEMASS 436.45385999999996 | + | AVERAGEMASS 436.45385999999996 |
| − | SMILES c(c(O)4)(c1cc(O5)c4CC5C(C)(C)O)C(C(c(c(O)2)ccc(O3)c(C=CC(C)(C)3)2)=CO1)=O | + | SMILES c(c(O)4)(c1cc(O5)c4CC5C(C)(C)O)C(C(c(c(O)2)ccc(O3)c(C=CC(C)(C)3)2)=CO1)=O |
M END | M END | ||
| − | |||
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
-1.7837 0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7837 0.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2274 0.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6711 0.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6711 0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2274 1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1148 0.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4415 0.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4415 0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1148 1.3163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9976 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9976 -0.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5924 -0.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1871 -0.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1871 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5924 0.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3946 1.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7722 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3946 0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2274 -0.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1148 -0.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7814 0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4143 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7354 0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7354 1.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7814 -0.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0080 0.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3756 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5924 1.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3756 -0.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3756 -1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0080 -0.2900 0.0000 C 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
1 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 2 1 0 0 0 0
3 20 1 0 0 0 0
7 21 2 0 0 0 0
15 22 1 0 0 0 0
18 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
14 26 1 0 0 0 0
23 27 1 0 0 0 0
22 28 2 0 0 0 0
16 29 1 0 0 0 0
26 30 1 0 0 0 0
30 28 1 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
S SKP 8
ID FLIAALND0002
KNApSAcK_ID C00009934
NAME Lupinisoflavone K
CAS_RN 128700-26-5
FORMULA C25H24O7
EXACTMASS 436.152203122
AVERAGEMASS 436.45385999999996
SMILES c(c(O)4)(c1cc(O5)c4CC5C(C)(C)O)C(C(c(c(O)2)ccc(O3)c(C=CC(C)(C)3)2)=CO1)=O
M END
