Mol:FL63RNNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 24 0 0 0 0 0 0 0 0999 V2000
-2.3373 0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3373 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7810 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2247 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2247 0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7810 0.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6684 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1121 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1121 0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6684 0.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8146 1.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1242 -0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4905 -1.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1242 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6878 -1.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2514 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2514 -0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6878 0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8146 0.2415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8146 -1.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4440 -0.3334 0.0000 O 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
4 7 1 0 0 0 0
7 8 1 1 0 0 0
9 8 1 1 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
11 1 1 0 0 0 0
9 12 1 0 0 0 0
7 13 1 0 0 0 0
12 14 2 0 0 0 0
14 13 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 12 1 0 0 0 0
17 19 1 0 0 0 0
16 20 1 0 0 0 0
8 21 1 0 0 0 0
S SKP 8
ID FL63RNNS0002
KNApSAcK_ID C00009002
NAME 6,12-Mehthano-6H,12H-dibenzo[b,f][1,5]dioxocin-2,3,9,13-tetrol
CAS_RN 119116-87-9
FORMULA C15H12O6
EXACTMASS 288.063388116
AVERAGEMASS 288.25218
SMILES Oc(c4)cc(O1)c(c4)C(O2)C(O)C1c(c3)c(cc(O)c(O)3)2
M END
