Mol:FL1DQUNI0003
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 |
| − | -0.9262 -0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9262 -0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9262 -1.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9262 -1.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4614 -1.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4614 -1.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0033 -1.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0033 -1.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0033 -0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0033 -0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4614 -0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4614 -0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4614 -1.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4614 -1.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4677 -0.2476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4677 -0.2476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4677 -1.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4677 -1.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9309 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9309 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3942 -1.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3942 -1.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8574 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8574 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3206 -1.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3206 -1.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7838 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7838 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7838 -0.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7838 -0.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3206 -0.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3206 -0.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8574 -0.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8574 -0.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4677 -1.8553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4677 -1.8553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3084 -0.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3084 -0.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3906 -1.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3906 -1.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8550 -1.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8550 -1.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0415 0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0415 0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1020 0.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1020 0.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3486 1.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3486 1.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8771 1.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8771 1.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1838 1.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1838 1.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6311 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6311 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1495 0.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1495 0.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4441 1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4441 1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1499 1.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1499 1.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0326 1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0326 1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3194 -1.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3194 -1.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3194 -1.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3194 -1.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7838 -1.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7838 -1.0523 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 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 5 8 2 0 0 0 0 | + | 5 8 2 0 0 0 0 |
| − | 4 9 1 0 0 0 0 | + | 4 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 9 18 2 0 0 0 0 | + | 9 18 2 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 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 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 6 27 1 0 0 0 0 | + | 6 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 |
| − | 21 32 2 0 0 0 0 | + | 21 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 FL1DQUNI0003 | + | ID FL1DQUNI0003 |
| − | KNApSAcK_ID C00007987 | + | KNApSAcK_ID C00007987 |
| − | NAME Helilupolone | + | NAME Helilupolone |
| − | CAS_RN 72247-85-9 | + | CAS_RN 72247-85-9 |
| − | FORMULA C30H38O4 | + | FORMULA C30H38O4 |
| − | EXACTMASS 462.27700970399997 | + | EXACTMASS 462.27700970399997 |
| − | AVERAGEMASS 462.62032 | + | AVERAGEMASS 462.62032 |
| − | SMILES C(C=C(C)C)C(=C2O)C(O)=C(C(C(CC=C(C)C)(CC=C(C)C)2)=O)C(=O)CCc(c1)cccc1 | + | SMILES C(C=C(C)C)C(=C2O)C(O)=C(C(C(CC=C(C)C)(CC=C(C)C)2)=O)C(=O)CCc(c1)cccc1 |
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
-0.9262 -0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9262 -1.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4614 -1.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0033 -1.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0033 -0.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4614 -0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4614 -1.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4677 -0.2476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4677 -1.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9309 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3942 -1.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8574 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3206 -1.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7838 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7838 -0.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3206 -0.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8574 -0.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4677 -1.8553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3084 -0.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3906 -1.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8550 -1.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0415 0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1020 0.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3486 1.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8771 1.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1838 1.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6311 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1495 0.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4441 1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1499 1.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0326 1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3194 -1.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3194 -1.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7838 -1.0523 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 1 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
5 8 2 0 0 0 0
4 9 1 0 0 0 0
9 10 1 0 0 0 0
10 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 17 2 0 0 0 0
17 12 1 0 0 0 0
9 18 2 0 0 0 0
1 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
6 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
21 32 2 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
S SKP 8
ID FL1DQUNI0003
KNApSAcK_ID C00007987
NAME Helilupolone
CAS_RN 72247-85-9
FORMULA C30H38O4
EXACTMASS 462.27700970399997
AVERAGEMASS 462.62032
SMILES C(C=C(C)C)C(=C2O)C(O)=C(C(C(CC=C(C)C)(CC=C(C)C)2)=O)C(=O)CCc(c1)cccc1
M END
