Mol:BMMCQN--s005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 52 0 0 0 0 0 0 0 0999 V2000
3.7321 10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 12.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 10.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 13.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9904 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9904 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8564 -9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8564 -10.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7224 -10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7224 -11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5885 -12.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5885 -13.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4545 -13.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9904 -10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7224 -13.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 10.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 12.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 13.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 12.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 4 1 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
1 6 1 0 0 0 0
6 5 2 0 0 0 0
5 4 1 0 0 0 0
4 52 2 0 0 0 0
1 49 2 0 0 0 0
3 51 1 0 0 0 0
51 8 1 0 0 0 0
2 50 1 0 0 0 0
50 7 1 0 0 0 0
6 9 1 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
11 41 1 0 0 0 0
12 13 1 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 1 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
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 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
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 48 1 0 0 0 0
15 42 1 0 0 0 0
19 43 1 0 0 0 0
23 44 1 0 0 0 0
27 45 1 0 0 0 0
31 46 1 0 0 0 0
35 47 1 0 0 0 0
39 40 1 0 0 0 0
S SKP 7
ID BMMCQN--s005
NAME 4-Hydroxy-3-methoxy-6-methyl-5- [(2E,6E,10E,14E,18E,22E,26E,30E) -3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl] cyclohexa-3,5-diene-1,2-dione
CAS_RN 62404-80-2
FORMULA C48H72O4
EXACTMASS 712.543
AVERAGEMASS 713.0828
SMILES C(CC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C)C(=CCCC(=CCCC(=CCCC(=CCc(c1)c(c(OC)c(c1=O)OC)=O)C)C)C)C
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03226
M END
