Mol:FL1DA9NR0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
1.6703 -0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6703 -0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2266 -1.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7829 -0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7829 -0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2266 0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5370 -0.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0933 -1.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0191 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5800 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0191 -1.7926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5800 -0.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1326 0.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6853 -0.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6853 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1326 -1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1326 -1.7753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0416 0.1003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2379 0.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1326 0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6853 1.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2379 0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5801 1.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1905 1.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5266 1.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0397 0.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5385 1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7836 0.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5801 1.7926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7829 1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6121 0.5003 0.0000 H 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
12 18 1 0 0 0 0
14 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 19 1 0 0 0 0
20 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 22 1 0 0 0 0
23 26 1 0 0 0 0
26 18 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
23 29 1 1 0 0 0
22 30 1 1 0 0 0
20 31 1 6 0 0 0
S SKP 8
ID FL1DA9NR0001
KNApSAcK_ID C00007133
NAME Rubranine
CAS_RN 31759-29-2
FORMULA C25H26O4
EXACTMASS 390.18310931999997
AVERAGEMASS 390.47153999999995
SMILES C(C)(C)(O2)C(C5)([H])C(c13)(CC(C)(C5)Oc(cc(O)c(C(=O)C=Cc(c4)cccc4)c23)1)[H]
M END
