Mol:FL1C1ANP0006
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 36 0 0 0 0 0 0 0 0999 V2000 | + | 34 36 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.1774 -0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1774 -0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1774 -0.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1774 -0.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7337 -0.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7337 -0.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2900 -0.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2900 -0.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2900 -0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2900 -0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7337 0.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7337 0.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0796 -0.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0796 -0.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4767 -0.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4767 -0.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6357 -0.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6357 -0.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1966 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1966 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6357 -1.6222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6357 -1.6222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1966 -0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1966 -0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7493 0.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7493 0.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3019 -0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3019 -0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3019 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3019 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7493 -0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7493 -0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8463 0.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8463 0.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7493 -1.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7493 -1.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8544 0.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8544 0.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8544 -0.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8544 -0.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4058 -0.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4058 -0.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9571 -0.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9571 -0.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5084 -0.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5084 -0.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9571 -1.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9571 -1.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7337 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7337 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2898 1.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2898 1.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8461 -0.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8461 -0.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4010 -0.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4010 -0.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9547 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9547 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5084 -0.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5084 -0.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9547 -1.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9547 -1.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8459 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8459 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2367 1.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2367 1.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5936 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5936 0.9453 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 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 4 27 1 0 0 0 0 | + | 4 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 17 32 1 0 0 0 0 | + | 17 32 1 0 0 0 0 |
| − | 32 26 1 0 0 0 0 | + | 32 26 1 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 FL1C1ANP0006 | + | ID FL1C1ANP0006 |
| − | KNApSAcK_ID C00007075 | + | KNApSAcK_ID C00007075 |
| − | NAME Sophoradochromene | + | NAME Sophoradochromene |
| − | CAS_RN 23057-58-1 | + | CAS_RN 23057-58-1 |
| − | FORMULA C30H34O4 | + | FORMULA C30H34O4 |
| − | EXACTMASS 458.24570957599997 | + | EXACTMASS 458.24570957599997 |
| − | AVERAGEMASS 458.58856000000003 | + | AVERAGEMASS 458.58856000000003 |
| − | SMILES c(c12)c(C=CC(c(c(O)3)ccc(c3CC=C(C)C)O)=O)cc(c1OC(C)(C)C=C2)CC=C(C)C | + | SMILES c(c12)c(C=CC(c(c(O)3)ccc(c3CC=C(C)C)O)=O)cc(c1OC(C)(C)C=C2)CC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 36 0 0 0 0 0 0 0 0999 V2000
1.1774 -0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1774 -0.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7337 -0.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2900 -0.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2900 -0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7337 0.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0796 -0.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4767 -0.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6357 -0.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1966 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6357 -1.6222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1966 -0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7493 0.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3019 -0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3019 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7493 -0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8463 0.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7493 -1.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8544 0.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8544 -0.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4058 -0.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9571 -0.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5084 -0.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9571 -1.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7337 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2898 1.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8461 -0.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4010 -0.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9547 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5084 -0.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9547 -1.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8459 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2367 1.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5936 0.9453 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 2 0 0 0 0
4 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
17 32 1 0 0 0 0
32 26 1 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
S SKP 8
ID FL1C1ANP0006
KNApSAcK_ID C00007075
NAME Sophoradochromene
CAS_RN 23057-58-1
FORMULA C30H34O4
EXACTMASS 458.24570957599997
AVERAGEMASS 458.58856000000003
SMILES c(c12)c(C=CC(c(c(O)3)ccc(c3CC=C(C)C)O)=O)cc(c1OC(C)(C)C=C2)CC=C(C)C
M END
