Mol:FL4D1CNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.7719 0.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7719 -0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 -0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7710 -0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7710 0.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2705 -0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 -0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 0.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2705 0.3488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2444 0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7588 0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7588 0.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2444 1.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 0.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 0.7405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2720 0.3486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2705 -1.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8301 -0.5180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6363 -1.2218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2720 1.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2720 0.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 0 0 0
11 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 11 1 0 0 0 0
9 17 1 1 0 0 0
1 18 1 0 0 0 0
7 19 2 0 0 0 0
8 20 1 1 0 0 0
8 21 1 6 0 0 0
14 22 1 0 0 0 0
13 23 1 0 0 0 0
S SKP 8
ID FL4D1CNS0001
KNApSAcK_ID C00000963
NAME (2R,3R)-fustin
CAS_RN 20725-03-5
FORMULA C15H12O6
EXACTMASS 288.063388116
AVERAGEMASS 288.25218
SMILES Oc(c3)cc(O1)c(c3)C(=O)C([H])(O)C([H])1c(c2)cc(O)c(O)c2
M END
