Mol:FL5FAAGA0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
-1.6621 1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6621 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9610 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2600 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2600 1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9610 1.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4410 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1420 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1420 1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4410 1.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4424 -0.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8428 1.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5573 1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2718 1.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2718 2.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5573 2.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8428 2.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9610 -0.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3628 1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9860 2.8521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6388 -0.0893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3644 -1.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5182 -0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7867 -1.7727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5182 -2.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3644 -3.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0960 -2.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2052 -0.4159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6023 -2.6963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0852 -3.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6140 -1.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5283 -1.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8712 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6467 0.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7324 0.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3895 -0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3140 -0.1985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9868 -1.9053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6793 -1.9995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5276 -0.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0119 1.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2202 1.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4715 2.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2202 3.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0119 3.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7608 2.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6292 4.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2202 3.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3684 3.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6793 1.8502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5232 -3.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4235 -4.1326 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
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 21 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
36 37 1 0 0 0 0
31 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
35 28 1 0 0 0 0
42 41 1 1 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 1 0 0 0
46 41 1 1 0 0 0
45 47 1 0 0 0 0
44 48 1 0 0 0 0
46 49 1 0 0 0 0
41 50 1 0 0 0 0
42 19 1 0 0 0 0
51 52 1 0 0 0 0
25 51 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 51 52
M SBL 1 1 57
M SMT 1 CH2OH
M SBV 1 57 -0.0050 0.8950
S SKP 5
ID FL5FAAGA0022
FORMULA C33H40O19
EXACTMASS 740.216379098
AVERAGEMASS 740.6593
SMILES C(O6)(C(C(O)C(O)C6CO)OC(O5)C(O)C(O)C(O)C5C)OC(C3=O)=C(c(c4)ccc(O)c4)Oc(c31)cc(OC(C2O)OC(C)C(C2O)O)cc1O
M END
