Mol:FL5FACGL0025
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
-3.3252 1.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3252 0.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6242 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9232 0.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9232 1.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6242 1.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2222 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5212 0.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5212 1.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2222 1.9272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2222 -0.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1796 1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8941 1.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6086 1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6086 2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8941 3.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1796 2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0260 1.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3331 0.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6242 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4074 3.2133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0840 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3170 -1.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0840 -2.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8089 -2.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5854 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7302 -0.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1670 -1.9910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6300 -3.0335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3723 0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0181 -0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0219 -0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7157 0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4369 0.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0181 0.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0219 0.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8941 3.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2916 -2.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8139 -3.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8998 -3.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5569 -3.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7814 -2.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6957 -2.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0386 -2.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6767 -1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1411 -1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8731 -2.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4259 -3.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1992 -3.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0219 -0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0260 -0.9734 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 15 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 19 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
28 31 1 0 0 0 0
16 38 1 0 0 0 0
25 39 1 0 0 0 0
41 40 1 1 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 1 0 0 0
45 40 1 1 0 0 0
44 46 1 0 0 0 0
43 47 1 0 0 0 0
45 48 1 0 0 0 0
40 49 1 0 0 0 0
41 50 1 0 0 0 0
50 39 1 0 0 0 0
51 52 1 0 0 0 0
33 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 0.0000 0.5794
S SKP 5
ID FL5FACGL0025
FORMULA C32H38O20
EXACTMASS 742.1956436559999
AVERAGEMASS 742.63212
SMILES c(c6O)(O)cc(cc6)C(=C2OC(C4OC(O5)C(C(O)(CO)C5)O)OC(C(C(O)4)O)COC(C(O)3)OC(C)C(O)C(O)3)Oc(c1)c(C2=O)c(cc(O)1)O
M END
