Mol:FL5FEAGS0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
46 50 0 0 0 0 0 0 0 0999 V2000
-1.0116 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0116 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2971 -1.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4173 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4173 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2971 0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1318 -1.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8463 -0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8463 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1318 0.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1318 -1.8810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7459 0.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4741 0.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2023 0.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2023 1.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4741 1.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7459 1.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2971 -1.9387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9816 1.9855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8650 0.6161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5943 2.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2661 1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4585 1.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7508 1.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1262 2.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8565 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4242 2.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9739 1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1161 2.7731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2013 2.5350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4111 2.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9816 3.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8337 3.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6604 -1.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4767 -2.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1644 -2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9462 -2.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1644 -1.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4767 -0.9283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6948 -1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7744 -1.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3936 -3.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9677 -3.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4614 -2.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7546 -1.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0389 -1.1305 0.0000 C 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 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
25 29 1 0 0 0 0
26 30 1 0 0 0 0
24 20 1 0 0 0 0
27 31 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
34 8 1 0 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 1 0 0 0
40 35 1 1 0 0 0
40 41 1 0 0 0 0
35 42 1 0 0 0 0
36 43 1 0 0 0 0
37 44 1 0 0 0 0
39 34 1 0 0 0 0
45 46 1 0 0 0 0
2 45 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 45 46
M SBL 1 1 50
M SMT 1 ^ OCH3
M SBV 1 50 0.7430 0.4290
S SKP 5
ID FL5FEAGS0018
FORMULA C30H34O16
EXACTMASS 650.18468504
AVERAGEMASS 650.58136
SMILES CC(=O)OC(C1C)C(O)C(C(Oc(c(OC)2)cc(O3)c(C(C(OC(O5)C(O)C(C(O)C(C)5)O)=C3c(c4)ccc(c4)O)=O)c(O)2)O1)O
M END
