Mol:FL4DAANP0003
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3005 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3005 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7796 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7796 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2587 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2587 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2587 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2587 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7796 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7796 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3005 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3005 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7831 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7831 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7831 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7831 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3034 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3034 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8378 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8378 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3722 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3722 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3722 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3722 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8378 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8378 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3034 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3034 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3034 -1.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3034 -1.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9056 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9056 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7796 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7796 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8213 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8213 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3422 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3422 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3422 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3422 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8213 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8213 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7796 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7796 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3000 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3000 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3000 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3000 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8203 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8203 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7796 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7796 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7736 0.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7736 0.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9056 -0.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9056 -0.4511 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 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 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 1 1 0 0 0 0 | + | 24 1 1 0 0 0 0 |
| − | 5 25 1 0 0 0 0 | + | 5 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAANP0003 | + | ID FL4DAANP0003 |
| − | KNApSAcK_ID C00008621 | + | KNApSAcK_ID C00008621 |
| − | NAME Lupinifolinol | + | NAME Lupinifolinol |
| − | CAS_RN 55890-28-3 | + | CAS_RN 55890-28-3 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES C(c(c31)c(O4)c(C=CC4(C)C)c(O)c1C(C(C(O3)c(c2)ccc(c2)O)O)=O)C=C(C)C | + | SMILES C(c(c31)c(O4)c(C=CC4(C)C)c(O)c1C(C(C(O3)c(c2)ccc(c2)O)O)=O)C=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 34 0 0 0 0 0 0 0 0999 V2000
-1.3005 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7796 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2587 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2587 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7796 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3005 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7831 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7831 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3034 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8378 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3722 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3722 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8378 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3034 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3034 -1.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9056 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7796 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8213 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3422 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3422 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8213 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7796 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3000 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3000 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8203 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7796 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7736 0.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9056 -0.4511 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
3 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 4 1 0 0 0 0
9 11 1 6 0 0 0
7 12 2 0 0 0 0
11 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 17 2 0 0 0 0
17 11 1 0 0 0 0
8 18 1 1 0 0 0
15 19 1 0 0 0 0
2 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 1 1 0 0 0 0
5 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
22 30 1 0 0 0 0
22 31 1 0 0 0 0
S SKP 8
ID FL4DAANP0003
KNApSAcK_ID C00008621
NAME Lupinifolinol
CAS_RN 55890-28-3
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES C(c(c31)c(O4)c(C=CC4(C)C)c(O)c1C(C(C(O3)c(c2)ccc(c2)O)O)=O)C=C(C)C
M END
