Mol:FL3FAACS0075
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
63 69 0 0 0 0 0 0 0 0999 V2000
3.4163 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7019 -1.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9874 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9874 -2.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7019 -3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4163 -2.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2730 -1.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5585 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5585 -2.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2730 -3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1125 -1.4119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2730 -3.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7019 -3.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1981 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9124 -1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6269 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6269 -0.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9124 -0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1981 -0.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2421 -0.1679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0750 0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2299 0.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4292 -0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7433 -1.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0482 -0.3774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3892 0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4082 0.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5749 1.7693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4803 1.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5334 0.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1975 -0.9165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0897 2.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8723 2.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1279 1.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6688 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8861 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6305 1.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9431 0.4877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7671 1.6138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1613 2.5723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5946 2.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6788 3.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3300 2.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5166 2.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7459 2.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0945 3.3326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9081 3.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1564 3.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6708 3.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2421 3.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8768 2.8924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0405 2.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6316 1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2828 0.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4693 0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6986 0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0474 1.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8609 0.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9298 1.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4444 2.0479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5117 1.6181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9583 0.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0653 0.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 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
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
7 24 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
35 38 1 0 0 0 0
34 39 1 0 0 0 0
33 40 1 0 0 0 0
32 41 1 0 0 0 0
36 28 1 0 0 0 0
42 43 1 1 0 0 0
43 44 1 1 0 0 0
45 44 1 1 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 42 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
42 50 1 0 0 0 0
43 51 1 0 0 0 0
44 52 1 0 0 0 0
45 40 1 0 0 0 0
53 54 1 1 0 0 0
54 55 1 1 0 0 0
56 55 1 1 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 53 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
53 61 1 0 0 0 0
54 62 1 0 0 0 0
55 63 1 0 0 0 0
56 38 1 0 0 0 0
S SKP 5
ID FL3FAACS0075
FORMULA C39H50O24
EXACTMASS 902.269202528
AVERAGEMASS 902.7999
SMILES C(C(OC(O7)C(O)C(C(C7CO)O)O)2)(C(C(OCC(O3)C(C(O)C(O)C(c(c54)c(cc(O)c4C(C=C(c(c6)ccc(c6)O)O5)=O)O)3)O)OC(C)2)OC(O1)C(C(C(O)C(CO)1)O)O)O
M END
