Mol:FL5FAAGL0058
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
63 69 0 0 0 0 0 0 0 0999 V2000
-1.4256 1.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4256 0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7111 0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0034 0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0034 1.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7111 1.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7178 0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4323 0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4323 1.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7178 1.8783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7178 -0.4148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1465 1.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8745 1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6027 1.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6027 2.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8745 3.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1465 2.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1398 1.8782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7111 -0.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0904 3.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4868 0.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8704 -0.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6730 -0.5103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3286 -0.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9450 -0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1426 -0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8415 0.3176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8005 -0.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5372 -0.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9822 -1.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3151 -1.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8634 -2.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6530 -2.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4149 -2.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8613 -1.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2004 -2.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4839 -1.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9276 -2.5513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3337 -2.9828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3199 -1.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2935 0.1484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1931 -0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5693 0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0061 0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0061 1.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6300 1.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1931 0.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9352 -1.1378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5886 -0.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7033 -0.3769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6467 -2.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0229 -1.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4597 -1.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4597 -0.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0836 -0.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6467 -1.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4302 -3.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0009 -2.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0950 -2.3992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5372 -1.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1651 0.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7527 -1.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6703 -1.5714 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
20 15 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
24 30 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 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 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
40 30 1 0 0 0 0
22 41 1 0 0 0 0
41 8 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 47 1 0 0 0 0
47 42 1 0 0 0 0
42 48 1 0 0 0 0
43 49 1 0 0 0 0
47 50 1 0 0 0 0
45 18 1 0 0 0 0
51 52 1 1 0 0 0
52 53 1 1 0 0 0
54 53 1 1 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 51 1 0 0 0 0
51 57 1 0 0 0 0
52 58 1 0 0 0 0
56 59 1 0 0 0 0
50 54 1 0 0 0 0
55 60 1 0 0 0 0
46 61 1 0 0 0 0
62 63 1 0 0 0 0
36 62 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 0.4476 -0.9918
S SKP 5
ID FL5FAAGL0058
FORMULA C39H50O24
EXACTMASS 902.269202528
AVERAGEMASS 902.7999
SMILES C(OC(O7)C(O)C(O)C(C(CO)7)O)C(C(O)1)OC(OC(=C(c(c6)ccc(O)c6)5)C(=O)c(c(O)2)c(O5)cc(OC(C(O)3)OC(C)C(C3OC(C4O)OC(C)C(O)C4O)O)c2)C(O)C1O
M END
