Mol:FLIAAAND0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-1.5940 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8833 0.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8833 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5940 1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3048 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3048 0.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1725 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5382 0.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5382 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1725 1.5556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2701 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2701 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9883 -1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7066 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7066 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9883 0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4248 -1.3421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1431 -0.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1431 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4248 0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0853 1.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5677 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0853 0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5940 -0.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1725 -0.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2176 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5224 1.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8292 0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4890 0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5058 -1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8292 -0.7435 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
2 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 3 1 0 0 0 0
8 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
14 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 15 1 0 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 6 1 0 0 0 0
1 24 1 0 0 0 0
7 25 2 0 0 0 0
22 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
26 29 1 0 0 0 0
18 30 1 0 0 0 0
18 31 1 0 0 0 0
S SKP 8
ID FLIAAAND0002
KNApSAcK_ID C00011150
NAME Ulexin C
CAS_RN 405297-96-3
FORMULA C25H22O6
EXACTMASS 418.141638436
AVERAGEMASS 418.43858
SMILES c(c(C(C(=O)5)=COc(c45)cc(c3c4O)oc(c3)C(C)(C)O)2)c(C=1)c(cc2)OC(C1)(C)C
M END
