Mol:FL5FAAGS0042
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
51 56 0 0 0 0 0 0 0 0999 V2000
-1.3919 1.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3919 0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6909 0.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0101 0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0101 1.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6909 2.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7111 0.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4121 0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4121 1.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7111 2.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7111 -0.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1129 2.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8273 1.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5418 2.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5418 2.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8273 3.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1129 2.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0927 2.0024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1659 0.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6909 -0.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3406 3.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6526 2.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8610 1.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1122 2.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8610 3.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6526 3.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4015 3.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1476 4.4201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8610 4.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1328 3.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3406 2.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7728 -1.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5644 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3132 -0.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5644 0.0962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7728 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0239 -0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9946 -0.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8743 -1.8670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3801 -2.2518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8486 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9470 -2.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5239 -3.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3375 -3.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1559 -3.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5791 -2.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7655 -3.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2341 -3.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9834 -3.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9487 -4.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1559 -4.4201 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 15 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 18 1 0 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
37 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
34 41 1 0 0 0 0
36 19 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 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
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 40 1 0 0 0 0
S SKP 5
ID FL5FAAGS0042
FORMULA C33H40O18
EXACTMASS 724.2214644759999
AVERAGEMASS 724.6599
SMILES C(C5C)(OC(O6)C(O)C(O)C(O)C(C)6)C(C(O)C(O5)OC(=C(c(c4)ccc(O)c4)3)C(=O)c(c2O3)c(O)cc(c2)OC(C1O)OC(C)C(C1O)O)O
M END
