Mol:FL1C1ANI0013
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 35 0 0 0 0 0 0 0 0999 V2000 | + | 34 35 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.1774 -0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1774 -0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1774 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1774 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7337 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7337 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2900 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2900 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2900 -0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2900 -0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7337 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7337 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0796 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0796 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4767 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4767 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6357 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6357 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1966 -0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1966 -0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6357 -1.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6357 -1.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1966 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1966 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7493 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7493 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3019 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3019 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3019 -0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3019 -0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7493 -1.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7493 -1.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8463 -0.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8463 -0.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7493 -1.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7493 -1.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8544 0.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8544 0.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8544 -1.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8544 -1.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4058 -0.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4058 -0.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9571 -1.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9571 -1.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5084 -0.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5084 -0.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9571 -1.9071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9571 -1.9071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7337 0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7337 0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2898 0.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2898 0.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2898 1.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2898 1.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7337 1.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7337 1.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8459 1.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8459 1.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8461 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8461 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4010 -0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4010 -0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9547 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9547 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5084 -0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5084 -0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9547 -1.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9547 -1.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 17 5 1 0 0 0 0 | + | 17 5 1 0 0 0 0 |
| − | 18 16 1 0 0 0 0 | + | 18 16 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 6 25 1 0 0 0 0 | + | 6 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 |
| − | 4 30 1 0 0 0 0 | + | 4 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANI0013 | + | ID FL1C1ANI0013 |
| − | KNApSAcK_ID C00007074 | + | KNApSAcK_ID C00007074 |
| − | NAME Sophoradin | + | NAME Sophoradin |
| − | CAS_RN 23057-54-7 | + | CAS_RN 23057-54-7 |
| − | FORMULA C30H36O4 | + | FORMULA C30H36O4 |
| − | EXACTMASS 460.26135963999997 | + | EXACTMASS 460.26135963999997 |
| − | AVERAGEMASS 460.60444 | + | AVERAGEMASS 460.60444 |
| − | SMILES c(c(O)1)(C(C=Cc(c2)cc(CC=C(C)C)c(c(CC=C(C)C)2)O)=O)ccc(c1CC=C(C)C)O | + | SMILES c(c(O)1)(C(C=Cc(c2)cc(CC=C(C)C)c(c(CC=C(C)C)2)O)=O)ccc(c1CC=C(C)C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 35 0 0 0 0 0 0 0 0999 V2000
1.1774 -0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1774 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7337 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2900 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2900 -0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7337 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0796 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4767 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6357 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1966 -0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6357 -1.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1966 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7493 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3019 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3019 -0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7493 -1.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8463 -0.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7493 -1.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8544 0.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8544 -1.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4058 -0.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9571 -1.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5084 -0.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9571 -1.9071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7337 0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2898 0.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2898 1.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7337 1.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8459 1.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8461 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4010 -0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9547 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5084 -0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9547 -1.9238 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
17 5 1 0 0 0 0
18 16 1 0 0 0 0
14 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
6 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
4 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
S SKP 8
ID FL1C1ANI0013
KNApSAcK_ID C00007074
NAME Sophoradin
CAS_RN 23057-54-7
FORMULA C30H36O4
EXACTMASS 460.26135963999997
AVERAGEMASS 460.60444
SMILES c(c(O)1)(C(C=Cc(c2)cc(CC=C(C)C)c(c(CC=C(C)C)2)O)=O)ccc(c1CC=C(C)C)O
M END
