Mol:LBPR01070201
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 46 0 0 0 0 0 0 0 0999 V2000 | + | 44 46 0 0 0 0 0 0 0 0999 V2000 |
| − | 14.2802 -6.7280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 14.2802 -6.7280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 12.3923 -4.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 -4.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 -4.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 -4.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5263 -3.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5263 -3.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6603 -2.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 -2.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6603 -1.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 -1.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 -1.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 -1.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 -0.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 -0.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 0.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 0.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 1.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 1.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 1.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 1.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 2.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 2.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 3.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 3.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 4.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 4.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 4.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 4.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 5.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 5.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 6.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 6.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 7.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 7.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 7.8620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 7.8620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 10.6603 -4.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6603 -4.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -1.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -1.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 3.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 3.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 6.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 6.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.4142 -7.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.4142 -7.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.4142 -8.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.4142 -8.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.2802 -8.7280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 14.2802 -8.7280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 15.1463 -8.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.1463 -8.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 15.1463 -7.2280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 15.1463 -7.2280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 8.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 8.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 9.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 9.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 8.8620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.8660 8.8620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 7.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 7.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 7.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 7.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 6.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 6.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.9142 -6.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.9142 -6.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 8.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 8.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.4142 -7.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.4142 -7.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0981 9.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0981 9.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3923 -5.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3923 -5.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 16.1463 -7.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.1463 -7.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.2802 -9.7280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.2802 -9.7280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 9.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 9.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.2583 -4.1380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2583 -4.1380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 15.1463 -6.2280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.1463 -6.2280 0.0000 O 0 0 0 0 0 0 0 0 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 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 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 7 21 1 0 0 0 0 | + | 7 21 1 0 0 0 0 |
| − | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
| − | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
| − | 1 24 1 1 0 0 0 | + | 1 24 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 1 1 0 0 0 0 | + | 28 1 1 0 0 0 0 |
| − | 29 19 1 0 0 0 0 | + | 29 19 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 19 33 1 0 0 0 0 | + | 19 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 24 35 1 0 0 0 0 | + | 24 35 1 0 0 0 0 |
| − | 29 36 1 0 0 0 0 | + | 29 36 1 0 0 0 0 |
| − | 24 37 1 0 0 0 0 | + | 24 37 1 0 0 0 0 |
| − | 29 38 1 0 0 0 0 | + | 29 38 1 0 0 0 0 |
| − | 19 18 1 1 0 0 0 | + | 19 18 1 1 0 0 0 |
| − | 26 41 1 1 0 0 0 | + | 26 41 1 1 0 0 0 |
| − | 31 42 1 6 0 0 0 | + | 31 42 1 6 0 0 0 |
| − | 2 39 1 0 0 0 0 | + | 2 39 1 0 0 0 0 |
| − | 43 2 2 0 0 0 0 | + | 43 2 2 0 0 0 0 |
| − | 1 39 1 0 0 0 0 | + | 1 39 1 0 0 0 0 |
| − | 1 44 1 6 0 0 0 | + | 1 44 1 6 0 0 0 |
| − | 28 44 1 6 0 0 0 | + | 28 44 1 6 0 0 0 |
| − | 28 40 1 1 0 0 0 | + | 28 40 1 1 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBPR01070201 | + | ID LBPR01070201 |
| − | FORMULA C40H56O4 | + | FORMULA C40H56O4 |
| − | EXACTMASS 600.41786028 | + | EXACTMASS 600.41786028 |
| − | AVERAGEMASS 600.8702400000001 | + | AVERAGEMASS 600.8702400000001 |
| − | SMILES [C@@](C(C)(C)3)(O2)([C@@](C)2C[C@@H](O)C3)CC(=O)C(=CC=CC(C)=CC=CC=C(C=CC=C(C)C=C[C@H](C1(C)C)C(=C[C@@H](C1)O)C)C)C | + | SMILES [C@@](C(C)(C)3)(O2)([C@@](C)2C[C@@H](O)C3)CC(=O)C(=CC=CC(C)=CC=CC=C(C=CC=C(C)C=C[C@H](C1(C)C)C(=C[C@@H](C1)O)C)C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
44 46 0 0 0 0 0 0 0 0999 V2000
14.2802 -6.7280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.3923 -4.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -4.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -3.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -2.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -1.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 5.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 6.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 7.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 7.8620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.6603 -4.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 3.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 6.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4142 -7.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4142 -8.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2802 -8.7280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
15.1463 -8.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1463 -7.2280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 8.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 9.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 8.8620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 7.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 7.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 6.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9142 -6.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 8.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4142 -7.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 9.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -5.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1463 -7.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2802 -9.7280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 9.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 -4.1380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.1463 -6.2280 0.0000 O 0 0 0 0 0 0 0 0 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 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 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 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
3 20 1 0 0 0 0
7 21 1 0 0 0 0
12 22 1 0 0 0 0
16 23 1 0 0 0 0
1 24 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 1 1 0 0 0 0
29 19 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
19 33 1 0 0 0 0
33 34 1 0 0 0 0
24 35 1 0 0 0 0
29 36 1 0 0 0 0
24 37 1 0 0 0 0
29 38 1 0 0 0 0
19 18 1 1 0 0 0
26 41 1 1 0 0 0
31 42 1 6 0 0 0
2 39 1 0 0 0 0
43 2 2 0 0 0 0
1 39 1 0 0 0 0
1 44 1 6 0 0 0
28 44 1 6 0 0 0
28 40 1 1 0 0 0
S SKP 5
ID LBPR01070201
FORMULA C40H56O4
EXACTMASS 600.41786028
AVERAGEMASS 600.8702400000001
SMILES [C@@](C(C)(C)3)(O2)([C@@](C)2C[C@@H](O)C3)CC(=O)C(=CC=CC(C)=CC=CC=C(C=CC=C(C)C=C[C@H](C1(C)C)C(=C[C@@H](C1)O)C)C)C
M END
