Mol:FL1C1ANP0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 36 0 0 0 0 0 0 0 0999 V2000
1.1774 -0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1774 -0.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7337 -0.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2900 -0.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2900 -0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7337 0.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0796 -0.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4767 -0.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6357 -0.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1966 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6357 -1.6222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1966 -0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7493 0.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3019 -0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3019 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7493 -0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8463 0.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7493 -1.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8544 0.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8544 -0.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4058 -0.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9571 -0.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5084 -0.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9571 -1.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7337 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2898 1.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8461 -0.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4010 -0.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9547 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5084 -0.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9547 -1.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8459 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2367 1.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5936 0.9453 0.0000 C 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
17 5 1 0 0 0 0
18 16 1 0 0 0 0
14 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
6 25 1 0 0 0 0
25 26 2 0 0 0 0
4 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
17 32 1 0 0 0 0
32 26 1 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
S SKP 8
ID FL1C1ANP0006
KNApSAcK_ID C00007075
NAME Sophoradochromene
CAS_RN 23057-58-1
FORMULA C30H34O4
EXACTMASS 458.24570957599997
AVERAGEMASS 458.58856000000003
SMILES c(c12)c(C=CC(c(c(O)3)ccc(c3CC=C(C)C)O)=O)cc(c1OC(C)(C)C=C2)CC=C(C)C
M END
