Mol:FL3FADNP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-0.6655 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6655 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0944 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0944 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0490 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7635 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7635 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0490 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4779 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1924 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9069 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9069 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1924 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4779 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0490 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6214 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6214 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3358 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8089 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5234 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5234 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8089 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3358 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8055 0.9815 0.0000 C 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 2 1 0 0 0 0
9 11 1 0 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
7 17 2 0 0 0 0
14 18 1 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
21 6 1 0 0 0 0
4 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 5 1 0 0 0 0
23 26 1 0 0 0 0
23 27 1 0 0 0 0
S SKP 8
ID FL3FADNP0003
KNApSAcK_ID C00013438
NAME 5-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
CAS_RN 461677-63-4
FORMULA C21H18O6
EXACTMASS 366.110338308
AVERAGEMASS 366.36402
SMILES c(c1)(C(=C4)Oc(c(C(=O)4)3)cc(c2c(O)3)OC(C=C2)(C)C)cc(c(O)c1)OC
M END
