Mol:FL2FA9NC0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 46 0 0 0 0 0 0 0 0999 V2000 | + | 41 46 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1640 2.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1640 2.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8783 1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8783 1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8778 0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8778 0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1631 0.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1631 0.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4489 0.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4489 0.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4493 1.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4493 1.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1626 -0.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1626 -0.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4479 -0.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4479 -0.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7337 -0.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7337 -0.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7341 0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7341 0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4474 -1.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4474 -1.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7327 -1.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7327 -1.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0185 -1.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0185 -1.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0190 -0.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0190 -0.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6962 -1.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6962 -1.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4104 -1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4104 -1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4100 -0.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4100 -0.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6953 -0.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6953 -0.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0389 -0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0389 -0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7536 -0.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7536 -0.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4678 -0.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4678 -0.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4673 0.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4673 0.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7526 0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7526 0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0384 0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0384 0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6966 -2.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6966 -2.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7323 -2.7764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7323 -2.7764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0767 0.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0767 0.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6380 0.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6380 0.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3522 0.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3522 0.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3517 1.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3517 1.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6370 2.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6370 2.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0772 1.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0772 1.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7520 0.1692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7520 0.1692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8877 1.2469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8877 1.2469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9208 2.0531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9208 2.0531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9992 2.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9992 2.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4599 2.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4599 2.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4437 2.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4437 2.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4678 1.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4678 1.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1876 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1876 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0046 -1.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0046 -1.8745 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 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 2 0 0 0 0 | + | 11 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 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 13 15 1 0 0 0 0 | + | 13 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
| − | 17 19 1 6 0 0 0 | + | 17 19 1 6 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 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 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 15 25 2 0 0 0 0 | + | 15 25 2 0 0 0 0 |
| − | 12 26 1 0 0 0 0 | + | 12 26 1 0 0 0 0 |
| − | 10 27 1 6 0 0 0 | + | 10 27 1 6 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 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 27 1 0 0 0 0 | + | 32 27 1 0 0 0 0 |
| − | 4 33 1 6 0 0 0 | + | 4 33 1 6 0 0 0 |
| − | 5 34 1 1 0 0 0 | + | 5 34 1 1 0 0 0 |
| − | 6 35 2 0 0 0 0 | + | 6 35 2 0 0 0 0 |
| − | 1 36 1 0 0 0 0 | + | 1 36 1 0 0 0 0 |
| − | 1 37 1 0 0 0 0 | + | 1 37 1 0 0 0 0 |
| − | 2 38 2 0 0 0 0 | + | 2 38 2 0 0 0 0 |
| − | 3 39 1 0 0 0 0 | + | 3 39 1 0 0 0 0 |
| − | 3 40 1 0 0 0 0 | + | 3 40 1 0 0 0 0 |
| − | 11 41 1 0 0 0 0 | + | 11 41 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NC0010 | + | ID FL2FA9NC0010 |
| − | KNApSAcK_ID C00014277 | + | KNApSAcK_ID C00014277 |
| − | NAME Leucadenone D | + | NAME Leucadenone D |
| − | CAS_RN 249915-39-7 | + | CAS_RN 249915-39-7 |
| − | FORMULA C33H32O7 | + | FORMULA C33H32O7 |
| − | EXACTMASS 540.2148033779999 | + | EXACTMASS 540.2148033779999 |
| − | AVERAGEMASS 540.60298 | + | AVERAGEMASS 540.60298 |
| − | SMILES c(c6)ccc(c6)C(O1)CC(c(c(O)5)c(c(c(c(C)5)4)C(C(C(O4)3O)([H])C(=O)C(C(=O)C(C)(C)3)(C)C)c(c2)cccc2)1)=O | + | SMILES c(c6)ccc(c6)C(O1)CC(c(c(O)5)c(c(c(c(C)5)4)C(C(C(O4)3O)([H])C(=O)C(C(=O)C(C)(C)3)(C)C)c(c2)cccc2)1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
41 46 0 0 0 0 0 0 0 0999 V2000
-2.1640 2.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8783 1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8778 0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1631 0.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4489 0.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4493 1.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1626 -0.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4479 -0.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7337 -0.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7341 0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4474 -1.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7327 -1.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0185 -1.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0190 -0.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6962 -1.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4104 -1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4100 -0.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6953 -0.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0389 -0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7536 -0.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4678 -0.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4673 0.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7526 0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0384 0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6966 -2.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7323 -2.7764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0767 0.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6380 0.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3522 0.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3517 1.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6370 2.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0772 1.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7520 0.1692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8877 1.2469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9208 2.0531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9992 2.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4599 2.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4437 2.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4678 1.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1876 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0046 -1.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 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 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 9 1 0 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 14 1 0 0 0 0
17 19 1 6 0 0 0
19 20 2 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
23 24 2 0 0 0 0
24 19 1 0 0 0 0
15 25 2 0 0 0 0
12 26 1 0 0 0 0
10 27 1 6 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 27 1 0 0 0 0
4 33 1 6 0 0 0
5 34 1 1 0 0 0
6 35 2 0 0 0 0
1 36 1 0 0 0 0
1 37 1 0 0 0 0
2 38 2 0 0 0 0
3 39 1 0 0 0 0
3 40 1 0 0 0 0
11 41 1 0 0 0 0
S SKP 8
ID FL2FA9NC0010
KNApSAcK_ID C00014277
NAME Leucadenone D
CAS_RN 249915-39-7
FORMULA C33H32O7
EXACTMASS 540.2148033779999
AVERAGEMASS 540.60298
SMILES c(c6)ccc(c6)C(O1)CC(c(c(O)5)c(c(c(c(C)5)4)C(C(C(O4)3O)([H])C(=O)C(C(=O)C(C)(C)3)(C)C)c(c2)cccc2)1)=O
M END
