Mol:FL3FACCS0047
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-0.6182 1.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0484 1.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0484 2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6182 2.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2847 2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2847 1.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7150 1.0973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3815 1.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3815 2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7150 2.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0199 1.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0199 0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6527 0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2855 0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2855 1.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6527 1.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7201 0.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7150 3.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6182 3.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8124 1.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2941 0.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7543 -0.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0099 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1882 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7279 0.6870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4724 0.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7960 -0.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3688 -0.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6943 -0.4105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7953 0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1955 1.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3208 -2.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9365 -2.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7052 -1.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1025 -1.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4868 -0.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7182 -1.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8062 -3.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0807 -0.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3426 -2.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7293 -2.7405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1879 -2.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7960 1.4083 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
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
10 18 2 0 0 0 0
4 19 1 0 0 0 0
6 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
1 24 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
33 38 1 0 0 0 0
35 39 1 0 0 0 0
32 40 1 0 0 0 0
40 41 1 0 0 0 0
36 29 1 0 0 0 0
34 42 1 0 0 0 0
15 43 1 0 0 0 0
S SKP 8
ID FL3FACCS0047
KNApSAcK_ID C00011124
NAME 2''-O-beta-L-galactopyranosylorientin
CAS_RN 861691-37-4
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES C(C(C1O)OC(OC(C(O)2)C(c(c34)c(cc(c3C(C=C(c(c5)ccc(O)c5O)O4)=O)O)O)OC(C2O)CO)C(O)C(O)1)O
M END
