Mol:LBPR01070160
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
50 51 0 0 0 0 0 0 0 0999 V2000
3.8660 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0622 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9282 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9282 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7942 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7942 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6603 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6603 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6603 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -9.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8660 -10.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7321 -9.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5263 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5263 7.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.6603 8.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.7942 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7942 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9282 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0263 5.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -7.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5263 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7942 9.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -11.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6603 9.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -10.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3923 8.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -10.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2942 8.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2942 10.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9282 10.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9282 11.2500 0.0000 Na 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 7 2 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 11 2 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
4 21 1 0 0 0 0
8 22 1 0 0 0 0
13 23 1 0 0 0 0
17 24 1 0 0 0 0
25 1 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 29 1 0 0 0 0
29 1 2 0 0 0 0
30 20 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
20 34 2 0 0 0 0
34 35 1 0 0 0 0
29 36 1 0 0 0 0
25 37 1 0 0 0 0
30 38 1 0 0 0 0
25 39 1 0 0 0 0
30 40 1 0 0 0 0
27 42 1 1 0 0 0
32 43 1 1 0 0 0
26 44 1 6 0 0 0
31 45 1 6 0 0 0
28 46 2 0 0 0 0
43 41 1 0 0 0 0
41 47 2 0 0 0 0
41 48 2 0 0 0 0
41 49 1 0 0 0 0
49 50 1 0 0 0 0
S SKP 5
ID LBPR01070160
FORMULA C40H53NaO8S
EXACTMASS 716.335884032
AVERAGEMASS 716.89979
SMILES C(C(C(C)(C)2)=C(C)C[C@H]([C@@H]2O)OS(=O)(=O)O[Na])=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC(C1(C)C)=C(C([C@H]([C@@H]1O)O)=O)C)C)C
M END
