Mol:FL3FACCS0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-1.7557 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7557 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0412 -2.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3268 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3268 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0412 -0.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3876 -2.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1020 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1020 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3876 -0.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3890 -2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4698 -0.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4649 2.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5033 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6418 1.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0434 0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2307 0.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1988 1.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5275 2.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2095 2.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5967 0.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0412 -2.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8957 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6485 -0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4014 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4014 0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6485 0.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8957 0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1538 0.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1538 -0.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6283 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9773 0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1846 0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5962 1.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6727 1.6258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9773 1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1846 0.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6283 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1538 1.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6954 1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2251 0.7287 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
25 30 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 31 1 0 0 0 0
32 36 1 0 0 0 0
33 37 1 0 0 0 0
34 21 1 0 0 0 0
38 39 1 0 0 0 0
31 38 1 0 0 0 0
40 41 1 0 0 0 0
18 40 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 38 39
M SBL 1 1 43
M SMT 1 CH2OH
M SBV 1 43 0.0000 0.9902
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 40 41
M SBL 2 1 45
M SMT 2 CH2OH
M SBV 2 45 -0.8942 -0.2669
S SKP 5
ID FL3FACCS0013
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES C(O)C(C(O)1)OC(OC(C(O)2)C(c(c34)c(cc(c3C(C=C(c(c5)ccc(O)c5O)O4)=O)O)O)OC(C2O)CO)C(O)1
M END
