Mol:FL5FAAGL0098
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
-3.1483 2.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1483 1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3964 0.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6445 1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6445 2.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3964 2.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8926 0.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1407 1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1407 2.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8926 2.4597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8926 0.0463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8059 2.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5722 2.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3386 2.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3386 3.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5722 3.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8059 3.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3964 -0.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1587 3.9851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8233 2.5137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6747 0.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2732 2.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5632 2.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7885 3.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5632 3.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2732 4.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0480 3.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0971 4.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6139 4.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7676 3.9927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9538 2.7237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3721 -1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4147 -1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3772 -0.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7700 -0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0930 -0.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0259 -1.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2442 -2.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3129 -2.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1200 -0.3585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6080 -2.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9037 -2.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6925 -3.0537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2620 -3.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9663 -3.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1775 -3.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9130 -2.1901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9402 -2.7379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3232 -3.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8048 0.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7827 0.7829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4662 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1007 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8119 -0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8118 -1.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5263 -1.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2408 -1.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2408 -0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5264 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9538 -1.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9538 0.0319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0029 -3.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4455 -4.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6702 -1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8870 -2.0860 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
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
27 30 1 0 0 0 0
22 31 1 0 0 0 0
23 20 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 21 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 1 0 0 0
43 44 1 1 0 0 0
45 44 1 1 0 0 0
45 46 1 0 0 0 0
46 41 1 0 0 0 0
41 47 1 0 0 0 0
46 48 1 0 0 0 0
45 49 1 0 0 0 0
42 39 1 0 0 0 0
40 50 1 0 0 0 0
50 51 2 0 0 0 0
50 52 1 0 0 0 0
52 53 2 0 0 0 0
53 54 1 0 0 0 0
54 55 2 0 0 0 0
55 56 1 0 0 0 0
56 57 2 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
59 54 1 0 0 0 0
57 60 1 0 0 0 0
58 61 1 0 0 0 0
62 63 1 0 0 0 0
44 62 1 0 0 0 0
64 65 1 0 0 0 0
37 64 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 62 63
M SBL 1 1 69
M SMT 1 CH2OH
M SBV 1 69 -0.7409 0.2903
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 64 65
M SBL 2 1 71
M SMT 2 ^ CH2OH
M SBV 2 71 0.6961 0.3921
S SKP 5
ID FL5FAAGL0098
FORMULA C42H46O23
EXACTMASS 918.242987778
AVERAGEMASS 918.8008399999999
SMILES c(c(C=CC(=O)OC(C2OC(=C6c(c7)ccc(c7)O)C(c(c(O6)4)c(O)cc(OC(C(O)5)OC(C)C(C(O)5)O)c4)=O)C(OC(O3)C(O)C(C(C(CO)3)O)O)C(C(CO)O2)O)1)cc(O)c(c1)O
M END
