Mol:FL3FAAGS0032
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
63 69 0 0 0 0 0 0 0 0999 V2000
-1.5434 -1.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5434 -2.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8421 -2.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1409 -2.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1409 -1.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8421 -0.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5605 -2.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2618 -2.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2618 -1.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5605 -0.8443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5605 -3.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9627 -0.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6774 -1.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3922 -0.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3922 -0.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6774 0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9627 -0.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2444 -0.8444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8421 -3.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1067 0.3934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9945 -0.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4465 -1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6575 -1.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8961 -1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4494 -0.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2554 -0.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6962 -0.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2223 -1.3711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9772 -1.6103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5895 -2.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0203 -2.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1920 -2.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3586 -2.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9279 -2.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7562 -2.4637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6094 -3.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4431 -2.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3967 -2.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3586 -3.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7147 2.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0679 2.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1879 1.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9439 1.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5907 1.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4707 2.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6973 3.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1359 3.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4976 1.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8328 2.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1671 1.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9900 1.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7111 1.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3286 1.8659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5845 1.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2131 1.9460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5108 1.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4682 0.7703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2269 2.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9271 3.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9915 2.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0590 3.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8253 -0.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0590 0.0464 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
3 19 1 0 0 0 0
15 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
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
34 29 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
30 38 1 0 0 0 0
33 39 1 0 0 0 0
24 18 1 0 0 0 0
40 41 1 1 0 0 0
41 42 1 1 0 0 0
43 42 1 1 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 40 1 0 0 0 0
40 46 1 0 0 0 0
41 47 1 0 0 0 0
42 48 1 0 0 0 0
49 50 1 1 0 0 0
50 51 1 1 0 0 0
52 51 1 1 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 49 1 0 0 0 0
49 55 1 0 0 0 0
50 56 1 0 0 0 0
51 57 1 0 0 0 0
52 48 1 0 0 0 0
43 20 1 0 0 0 0
58 59 1 0 0 0 0
54 58 1 0 0 0 0
60 61 1 0 0 0 0
45 60 1 0 0 0 0
62 63 1 0 0 0 0
26 62 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 58 59
M SBL 1 1 65
M SMT 1 ^ CH2OH
M SBV 1 65 0.3575 -0.7362
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 60 61
M SBL 2 1 67
M SMT 2 CH2OH
M SBV 2 67 -0.5208 -0.3659
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 62 63
M SBL 3 1 69
M SMT 3 ^ CH2OH
M SBV 3 69 0.5699 -0.6544
S SKP 5
ID FL3FAAGS0032
FORMULA C39H50O24
EXACTMASS 902.269202528
AVERAGEMASS 902.7999
SMILES C(c(c7)ccc(c7)OC(O6)C(C(C(O)C6CO)O)OC(O5)C(O)C(C(O)C5CO)O)(O1)=CC(=O)c(c(O)2)c(cc(OC(C3OC(C(O)4)OC(C)C(O)C(O)4)OC(C(C3O)O)CO)c2)1
M END
