Mol:FL1DA9NR0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 40 0 0 0 0 0 0 0 0999 V2000
2.2247 -0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2247 -0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7810 -1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3373 -0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3373 -0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7810 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0915 -0.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6478 -1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5354 -1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0255 -0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5354 -1.7039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0255 -0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5782 0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1308 -0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1308 -0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5782 -1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5782 -1.6866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5782 0.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1308 1.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6835 0.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6835 0.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1371 1.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5596 1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1435 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5954 0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6160 0.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1420 1.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2377 0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2782 1.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2992 1.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1280 0.5484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6833 -1.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2347 -0.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7860 -1.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3373 -0.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7860 -1.6851 0.0000 C 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 1 2 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
13 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 14 1 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 18 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 12 1 0 0 0 0
25 27 1 0 0 0 0
25 28 1 0 0 0 0
24 29 1 1 0 0 0
20 30 1 1 0 0 0
18 31 1 6 0 0 0
15 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
S SKP 8
ID FL1DA9NR0002
KNApSAcK_ID C00007158
NAME 3'-Prenylrubranine
CAS_RN 116133-67-6
FORMULA C30H34O4
EXACTMASS 458.24570957599997
AVERAGEMASS 458.58856000000003
SMILES C(c(c5)cccc5)=CC(=O)c(c42)c(O)c(c(c41)OC(C3)(C)CC1(C([H])(C3)C(O2)(C)C)[H])CC=C(C)C
M END
