Mol:FLIF1LGF0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
50 56 0 0 0 0 0 0 0 0999 V2000
-1.0989 2.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8443 -0.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1144 -0.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8376 0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3601 0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0405 0.7987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3371 0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1542 -0.7905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5589 -0.7261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1203 0.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5083 0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2064 0.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9210 0.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9210 -0.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6621 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4032 -0.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4032 0.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6621 0.8312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5081 -0.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2064 -0.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6620 -1.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1436 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1436 -1.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8521 -2.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5605 -1.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5605 -0.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8521 -0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7330 3.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0349 1.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7860 1.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1217 0.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8853 0.4034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1441 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1927 1.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3788 1.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1154 2.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5280 2.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3419 2.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6053 2.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5126 1.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9271 3.2556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3298 2.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0587 0.8628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8702 0.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9857 2.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3334 1.7248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2277 -2.0088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5126 -2.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8263 -2.7256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7442 -3.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 1 0 0 0
3 4 1 1 0 0 0
5 4 1 1 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 2 1 0 0 0 0
2 8 1 0 0 0 0
3 9 1 0 0 0 0
4 10 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
11 19 1 0 0 0 0
19 20 2 0 0 0 0
20 14 1 0 0 0 0
15 21 2 0 0 0 0
16 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 22 1 0 0 0 0
1 28 2 0 0 0 0
12 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 11 1 0 0 0 0
27 32 1 0 0 0 0
32 33 1 0 0 0 0
33 17 1 0 0 0 0
30 1 1 0 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 38 1 0 0 0 0
38 39 1 1 0 0 0
39 34 1 1 0 0 0
38 40 1 0 0 0 0
37 41 1 0 0 0 0
36 42 1 0 0 0 0
35 43 1 0 0 0 0
43 44 1 0 0 0 0
44 7 1 0 0 0 0
1 45 1 0 0 0 0
45 46 1 0 0 0 0
46 5 1 0 0 0 0
47 48 1 0 0 0 0
25 47 1 0 0 0 0
49 50 1 0 0 0 0
24 49 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 47 48
M SBL 1 1 54
M SMT 1 OCH3
M SBV 1 54 -0.6672 0.3110
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 49 50
M SBL 2 1 56
M SMT 2 ^ OCH3
M SBV 2 56 0.0258 0.6187
S SKP 5
ID FLIF1LGF0002
FORMULA C34H40O16
EXACTMASS 704.2316352319999
AVERAGEMASS 704.6718
SMILES c(O5)(c(CC(C(COC(C7O)OC(C(O)C7O)COC(O6)C(C(O)C(C6)O)O)=C)5)1)ccc(C(=O)2)c(OC(C4)C2c(c3)c(O4)cc(c3OC)OC)1
M END
