Mol:FL5FACGL0024
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-3.1275 1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1275 0.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4263 0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7251 0.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7251 1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4263 1.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0239 0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3226 0.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3226 1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0239 1.8878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0239 -0.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3783 1.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0930 1.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8076 1.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8076 2.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0930 3.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3783 2.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8285 1.8877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4644 0.1818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4263 -0.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0029 -1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5797 -1.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3935 -1.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2122 -1.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6355 -1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8216 -1.4534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2169 -1.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5535 0.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1303 0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9441 0.2512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7628 0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1861 0.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3722 0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8103 0.6221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8724 1.0787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8285 0.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4575 0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5437 -0.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0521 -1.8124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0046 -2.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2122 -2.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6068 3.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0930 3.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4562 -2.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8793 -3.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0655 -3.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7530 -3.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1763 -2.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3625 -2.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2421 -2.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4071 -3.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4544 -3.6774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7530 -3.9505 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
8 19 1 0 0 0 0
3 20 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
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 19 1 0 0 0 0
42 15 1 0 0 0 0
16 43 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 1 0 0 0
46 47 1 1 0 0 0
48 47 1 1 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 52 1 0 0 0 0
47 53 1 0 0 0 0
48 39 1 0 0 0 0
S SKP 5
ID FL5FACGL0024
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES c(c51)(OC(c(c6)ccc(O)c6O)=C(C5=O)OC(C(O)4)OC(C(O)C4O)COC(O2)C(O)C(C(OC(O3)C(C(C(C(C)3)O)O)O)C2C)O)cc(cc1O)O
M END
