Mol:FL5FACGA0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
-1.1147 0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1147 0.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4135 -0.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2877 0.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2877 0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4135 1.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9889 -0.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6902 0.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6902 0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9889 1.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9889 -1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3911 1.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1058 0.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8205 1.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8205 2.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1058 2.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3911 2.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8157 1.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3947 -0.3771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4135 -1.1824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0158 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5925 -2.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4063 -2.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2250 -2.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6483 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8345 -2.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2734 -1.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4427 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0195 -0.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8332 -0.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6519 -0.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0751 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2614 -0.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7406 0.0426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5153 0.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9973 0.7144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2847 -0.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5758 -1.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0227 -2.4560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8744 -2.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2250 -3.3092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6196 2.5330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6606 1.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1223 0.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3475 0.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5996 0.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1430 1.5022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9346 1.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2686 1.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8558 0.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6958 0.5133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1058 3.3092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4155 1.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6483 2.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 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 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 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 12 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 19 1 0 0 0 0
42 15 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 18 1 0 0 0 0
16 52 1 0 0 0 0
53 54 1 0 0 0 0
48 53 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 53 54
M SBL 1 1 59
M SMT 1 ^ CH2OH
M SBV 1 59 0.4808 -0.5216
S SKP 5
ID FL5FACGA0022
FORMULA C33H40O21
EXACTMASS 772.206208342
AVERAGEMASS 772.6581
SMILES c(c5)(c(c(cc5OC(C(O)6)OC(CO)C(O)C6O)1)C(=O)C(OC(C(O)3)OC(COC(C4O)OC(C(C4O)O)C)C(O)C3O)=C(c(c2)ccc(O)c(O)2)O1)O
M END
