Mol:FL7D1CNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 33 0 0 0 0 0 0 0 0999 V2000
-1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1435 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1435 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8578 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1435 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8578 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
1 4 2 0
2 5 1 0
2 6 2 0
3 7 1 0
3 8 2 0
4 9 1 0
4 10 1 0
5 11 1 0
5 12 2 0
6 13 1 0
7 14 1 0
7 15 2 0
8 12 1 0
9 14 2 0
11 16 2 0
13 16 1 0
13 17 2 0
14 18 1 0
15 19 1 0
16 20 1 0
18 21 1 0
19 21 2 0
21 22 1 0
22 23 1 0
22 24 2 0
23 25 2 0
24 26 1 0
25 27 1 0
25 28 1 0
26 27 2 0
27 29 1 0
S SKP 9
AUTODRAW FALSE
ID FL7D1CNS0001
KNApSAcK_ID
NAME Sphagnorubin A
CAS_RN 55483-18-6
FORMULA C23H14O6
EXACTMASS 386.07903818
AVERAGEMASS 386.35366
SMILES Oc(c5)c(O)cc(c5)C(=C4)Oc(c3)c(=C4)c(c1)c(c(O)3)c(c2)c(cc(O)c(=O)2)c1
M END
