Mol:FL5FACGA0014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-2.3153 -0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3153 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6007 -1.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8862 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8862 -0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6007 0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1716 -1.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5429 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5429 -0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1716 0.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1716 -2.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4425 0.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1708 -0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8990 0.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8990 1.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1708 1.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4425 1.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6007 -2.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6784 1.5567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2663 -1.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9831 0.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1708 2.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2576 -1.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8712 -1.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6142 -1.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3616 -1.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7481 -1.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0051 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5620 -1.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3537 -0.9220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7082 -0.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4337 0.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7592 -0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9731 0.5882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7592 1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4337 1.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2197 0.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1257 2.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7592 1.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8045 1.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0022 0.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0845 -1.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0022 -2.0581 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
1 21 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
24 20 1 0 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 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
37 40 1 0 0 0 0
32 41 1 0 0 0 0
33 21 1 0 0 0 0
42 43 1 0 0 0 0
26 42 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 42 43
M SBL 1 1 47
M SMT 1 CH2OH
M SBV 1 47 -0.7229 -0.2347
S SKP 5
ID FL5FACGA0014
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES O=C(c21)C(OC(C(O)5)OC(C(C(O)5)O)CO)=C(c(c4)ccc(O)c4O)Oc1cc(OC(C(O)3)OC(C)C(O)C3O)cc2O
M END
