Mol:FL7AAAGA0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
-2.0324 1.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0324 0.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3919 0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7514 0.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7514 1.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3919 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1109 0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5296 0.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5296 1.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1109 1.5966 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.1699 1.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8227 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4754 1.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4754 2.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8227 2.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1699 2.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1281 2.7270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6727 1.5965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3919 -0.6219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2566 0.1144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2996 -0.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7060 -1.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8511 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0261 -1.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6255 -0.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3735 -0.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9537 -0.8214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4843 -1.2787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0917 -1.6396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3694 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9230 -1.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7814 -1.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6449 -1.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1545 -1.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2329 -1.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6470 -1.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3220 0.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8756 -0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7340 0.1117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5974 -0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0439 0.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1855 0.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6195 0.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4784 0.7987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9365 1.2636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3346 0.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8668 -0.4084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2234 -1.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1870 -2.3992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6449 -2.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0584 -0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1545 0.2087 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 19 1 0 0 0 0
30 31 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 30 1 0 0 0 0
30 36 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 1 0 0 0
39 40 1 1 0 0 0
41 40 1 1 0 0 0
41 42 1 0 0 0 0
42 37 1 0 0 0 0
37 43 1 0 0 0 0
42 44 1 0 0 0 0
41 45 1 0 0 0 0
40 46 1 0 0 0 0
34 47 1 0 0 0 0
46 47 1 0 0 0 0
31 48 1 0 0 0 0
32 49 1 0 0 0 0
33 50 1 0 0 0 0
38 20 1 0 0 0 0
51 52 1 0 0 0 0
26 51 1 0 0 0 0
M CHG 1 10 1
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 0.6850 -0.7059
S SKP 5
ID FL7AAAGA0005
FORMULA C33H41O19
EXACTMASS 741.22420413
AVERAGEMASS 741.66724
SMILES C(O)C(C6O)OC(C(C6O)O)Oc(c41)cc(cc([o+1]c(c(c5)ccc(c5)O)c(c4)OC(O2)C(O)C(O)C(C(COC(C3O)OC(C(O)C(O)3)C)2)O)1)O
M END
