Mol:FL3FACDS0023
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-1.4334 -0.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4334 -1.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7189 -2.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0045 -1.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0045 -0.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7189 -0.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7100 -2.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4245 -1.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4245 -0.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7100 -0.5065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7100 -2.7997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1476 -0.5067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3415 2.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5909 1.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5710 0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8427 0.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0800 0.5041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1943 1.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2063 2.9812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3792 2.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2759 0.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7189 -2.9812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2182 -0.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9710 -0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7239 -0.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7239 0.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9710 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2182 0.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4763 0.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8383 -1.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3617 -2.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6753 -2.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0128 -2.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4942 -1.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0947 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4763 -2.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1035 -2.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0949 -2.6143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6279 -0.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9534 -0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1675 0.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9534 0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6279 1.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4139 0.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3406 1.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9534 1.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0194 0.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2582 -0.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3582 -0.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4257 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1068 0.7966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7735 -1.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8559 -1.9379 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
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
23 9 1 0 0 0 0
26 29 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 2 1 0 0 0 0
40 39 1 1 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 1 0 0 0
44 39 1 1 0 0 0
43 45 1 0 0 0 0
42 46 1 0 0 0 0
44 47 1 0 0 0 0
39 48 1 0 0 0 0
40 12 1 0 0 0 0
25 49 1 0 0 0 0
50 51 1 0 0 0 0
18 50 1 0 0 0 0
52 53 1 0 0 0 0
35 52 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 50 51
M SBL 1 1 56
M SMT 1 CH2OH
M SBV 1 56 -0.6200 -0.2728
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 52 53
M SBL 2 1 58
M SMT 2 ^CH2OH
M SBV 2 58 0.6788 -0.5586
S SKP 5
ID FL3FACDS0023
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES C(O)(C(O)1)C(OC(c(c(OC(C(O)6)OC(C(C6O)O)C)4)c(O2)c(c(O)c(C(C(O)5)OC(C(O)C5O)CO)4)C(=O)C=C2c(c3)ccc(c3O)O)C1O)CO
M END
