Mol:FLIAAANP0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 34 0 0 0 0 0 0 0 0999 V2000
-2.3261 0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3261 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7698 -0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2135 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2135 0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7698 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6572 -0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1009 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1009 0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6572 0.7050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4552 -0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4552 -1.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0500 -1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6447 -1.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6447 -0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0500 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8822 0.7049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6572 -1.2251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7698 1.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3259 1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2395 -1.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8343 -1.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8343 -0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2395 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8822 1.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8822 1.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4885 1.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7698 -1.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8343 -1.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4885 -0.8888 0.0000 C 0 0 0 0 0 0 0 0 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 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
1 17 1 0 0 0 0
7 18 2 0 0 0 0
6 19 1 0 0 0 0
19 20 2 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 15 1 0 0 0 0
20 25 1 0 0 0 0
25 17 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
3 28 1 0 0 0 0
22 29 1 0 0 0 0
22 30 1 0 0 0 0
S SKP 8
ID FLIAAANP0012
KNApSAcK_ID C00009937
NAME Ulexone B
CAS_RN 128988-21-6
FORMULA C25H22O5
EXACTMASS 402.146723814
AVERAGEMASS 402.43918
SMILES C(=C1)C(Oc(c5)c1c(c(c(O)5)2)OC=C(c(c3)ccc(O4)c3C=CC4(C)C)C(=O)2)(C)C
M END
