Mol:FL2FALNR0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
51 56 0 0 0 0 0 0 0 0999 V2000
0.0162 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5370 0.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0579 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0579 1.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5370 1.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0162 1.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5370 0.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5042 1.8655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5788 0.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0997 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0997 1.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5788 1.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6201 1.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5788 0.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1544 1.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6888 1.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6888 2.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1544 2.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6201 2.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2232 2.7910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1027 2.7910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5042 0.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0366 0.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5689 0.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5689 0.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0366 -0.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5042 0.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1012 0.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6335 0.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1645 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6944 0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2232 0.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6944 0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0366 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5549 -1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5549 -1.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0366 -2.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5182 -1.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5182 -1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0729 -0.9961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0366 -2.7910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8483 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5220 -1.8693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5782 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8968 -1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5340 -1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8525 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5340 -0.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8968 -0.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5785 -0.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4892 -1.3041 0.0000 O 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
6 8 1 0 0 0 0
3 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 4 1 0 0 0 0
11 13 1 0 0 0 0
9 14 2 0 0 0 0
13 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 13 1 0 0 0 0
20 17 1 0 0 0 0
21 19 1 0 0 0 0
1 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 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
24 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
31 33 1 0 0 0 0
26 34 1 1 0 0 0
34 35 2 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 34 1 0 0 0 0
35 40 1 0 0 0 0
37 41 1 0 0 0 0
27 42 1 6 0 0 0
42 43 2 0 0 0 0
42 44 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
49 44 1 0 0 0 0
49 50 1 0 0 0 0
47 51 1 0 0 0 0
S SKP 8
ID FL2FALNR0002
KNApSAcK_ID C00008383
NAME Sanggenon G
CAS_RN 85698-31-3
FORMULA C40H38O11
EXACTMASS 694.241412058
AVERAGEMASS 694.7231200000001
SMILES C(C2c(c(O)4)c(O)c(C(=O)5)c(OC(c(c6O)ccc(c6)O)C5)c4)=C(CCC=C(C)C)CC(C(C(c(c3O)ccc(c3)O)=O)2)c(c1O)ccc(c1)O
M END
