Mol:FL5FAAGL0023
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-3.0559 2.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0559 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3415 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 2.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3415 3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9125 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1981 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1981 2.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9125 3.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9125 0.8069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5161 3.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2442 2.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9724 3.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9724 3.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2442 4.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5161 3.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3415 0.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7701 3.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7004 4.3610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5158 1.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4791 0.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2860 0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3821 0.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7297 1.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9227 1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8265 0.8231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2037 1.0190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7701 0.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0077 1.7426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2749 -0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5673 -0.5308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5072 -3.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2874 -4.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7909 -3.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4720 -3.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6954 -2.8381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1696 -3.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 -4.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2451 -4.3610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -3.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9888 -1.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5576 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3867 -1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2208 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6520 -1.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8229 -1.4921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3009 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0012 -1.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7237 -2.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2208 -2.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6138 -3.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8921 -3.4347 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
24 28 1 0 0 0 0
23 29 1 0 0 0 0
26 21 1 0 0 0 0
25 30 1 0 0 0 0
22 31 1 0 0 0 0
31 32 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
42 43 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 42 1 0 0 0 0
42 48 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 32 1 0 0 0 0
50 36 1 0 0 0 0
52 53 1 0 0 0 0
38 52 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 52 53
M SBL 1 1 58
M SMT 1 ^ CH2OH
M SBV 1 58 0.7834 -0.1485
S SKP 5
ID FL5FAAGL0023
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES C(O1)(OCC(O3)C(O)C(C(O)C(OC(C5=O)=C(Oc(c6)c5c(O)cc6O)c(c4)ccc(O)c4)3)O)C(C(OC(C2O)OC(CO)C(C2O)O)C(C(C)1)O)O
M END
