Mol:FL2FA9NC0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 48 0 0 0 0 0 0 0 0999 V2000
0.9751 -1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9893 -0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7301 -1.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4039 -1.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3947 -0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7108 0.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1091 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7301 -2.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8236 -0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5381 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5381 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8236 1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1091 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2821 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4394 -0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4394 -1.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2821 -1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2821 -2.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2821 0.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3558 1.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0420 -0.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0696 -1.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6692 -1.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6692 -0.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3837 0.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0981 -0.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0981 -1.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3837 -1.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3837 -2.3538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3558 1.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0702 2.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7847 1.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7847 1.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0702 0.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5121 0.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1091 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1091 1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8236 2.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5381 1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5381 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8236 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8236 0.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3163 2.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 2 1 0 0 0 0
5 7 1 6 0 0 0
3 8 2 0 0 0 0
7 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 7 1 0 0 0 0
2 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 1 1 0 0 0 0
17 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
15 21 1 0 0 0 0
16 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
20 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 20 1 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 36 1 0 0 0 0
41 42 1 0 0 0 0
30 43 1 0 0 0 0
S SKP 8
ID FL2FA9NC0006
KNApSAcK_ID C00014264
NAME Isouvarinol;(S)-5,7-Dihydroxy-6-(2-hydroxybenzyl)-8-(2x2-hydroxybenzyl)flavanone
CAS_RN 152841-80-0
FORMULA C36H30O7
EXACTMASS 574.199153314
AVERAGEMASS 574.6192
SMILES C(C3)(c(c6)cccc6)Oc(c(Cc(c4)c(ccc(Cc(c5)c(ccc5)O)4)O)1)c(C3=O)c(c(Cc(c2)c(O)ccc2)c(O)1)O
M END
