Mol:FL5FACGS0045
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
55 60 0 0 0 0 0 0 0 0999 V2000
-0.9377 -0.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9377 -1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2232 -1.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4912 -1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4912 -0.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2232 -0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2057 -1.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9201 -1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9201 -0.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2057 -0.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2057 -2.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5722 -0.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3004 -0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0286 -0.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0286 0.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3004 1.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5722 0.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2012 -2.4130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8079 1.2413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6436 -1.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3004 2.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7226 -1.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3363 -1.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0793 -1.7157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8266 -1.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2130 -1.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4701 -1.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0051 -1.4511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9218 -0.8601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8751 -1.4789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3534 -0.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8104 -0.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0284 -0.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2739 -0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8222 0.0661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5063 -0.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9524 0.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1051 -0.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5730 -0.8372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3316 -0.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6965 0.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5289 2.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6302 1.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8935 1.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2992 0.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2897 1.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9690 1.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0648 2.8456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0318 2.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0027 2.6755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9817 2.2424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6764 -0.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5350 -1.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0648 -1.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0648 -2.8456 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
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
19 15 1 0 0 0 0
20 8 1 0 0 0 0
4 3 1 0 0 0 0
16 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 20 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 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
41 37 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
45 41 1 0 0 0 0
42 48 1 0 0 0 0
43 49 1 0 0 0 0
47 50 1 0 0 0 0
46 51 1 0 0 0 0
1 52 1 0 0 0 0
52 34 1 0 0 0 0
53 54 2 0 0 0 0
53 55 1 0 0 0 0
25 53 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 53 54 55
M SBL 1 1 60
M SMT 1 COOH
M SBV 1 60 -0.7084 0.0000
S SKP 5
ID FL5FACGS0045
FORMULA C33H38O22
EXACTMASS 786.1854728999999
AVERAGEMASS 786.64162
SMILES OC(C6O)C(O)C(OC6C(O)=O)OC(C(=O)1)=C(c(c5)ccc(c5O)O)Oc(c2)c1c(cc2OC(C3O)OC(COC(C4O)OC(C)C(C(O)4)O)C(C3O)O)O
M END
