Mol:FL7AAIGL0033
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
89 97 0 0 0 0 0 0 0 0999 V2000
-1.2369 4.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5125 4.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5125 5.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2369 6.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9613 5.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9613 4.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2118 4.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9362 4.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9362 5.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2118 6.0451 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.7026 6.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3878 5.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0730 6.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0730 6.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3878 7.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7026 6.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6926 7.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6375 6.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2369 3.7951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7639 4.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3878 7.8923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0021 8.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6976 5.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9837 4.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3164 3.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4257 3.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4340 3.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1013 4.3966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9921 3.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6676 4.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0918 5.0724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8536 3.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9052 3.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9311 2.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0291 4.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2318 3.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2179 3.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0017 2.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7990 3.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8129 3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3683 4.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2588 3.9461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3848 2.8743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7858 2.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8889 1.9179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5264 0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3029 -0.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1372 0.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1308 0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3543 1.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5199 0.5822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3066 -0.6197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7880 -0.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8715 0.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5602 -0.3461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9891 0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4386 1.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2814 0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7421 -0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1306 -0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5307 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3307 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7308 -0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3307 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5307 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4377 -0.0756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5506 -3.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7692 -2.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1560 -1.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0220 -0.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8034 -1.5290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4167 -2.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5970 -1.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3386 -4.0962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8486 -3.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0690 -3.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8968 -4.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8355 -4.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3594 -3.4533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1717 -4.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6954 -5.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1474 -6.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9724 -6.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3848 -7.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9724 -7.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1474 -7.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7349 -7.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3624 -8.5066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3952 6.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 3 1 0 0 0 0
9 11 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 2 0 0 0 0
16 11 1 0 0 0 0
14 17 1 0 0 0 0
5 18 1 0 0 0 0
1 19 1 0 0 0 0
8 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
13 23 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
19 27 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
39 38 1 1 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
20 36 1 0 0 0 0
35 41 1 0 0 0 0
40 42 1 0 0 0 0
39 43 1 0 0 0 0
38 44 1 0 0 0 0
44 45 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 1 0 0 0
49 48 1 1 0 0 0
50 49 1 1 0 0 0
50 51 1 0 0 0 0
51 46 1 0 0 0 0
45 50 1 0 0 0 0
49 52 1 0 0 0 0
48 53 1 0 0 0 0
46 54 1 0 0 0 0
47 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 2 0 0 0 0
56 58 1 0 0 0 0
58 59 2 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
61 62 1 0 0 0 0
62 63 2 0 0 0 0
63 64 1 0 0 0 0
64 65 2 0 0 0 0
65 60 1 0 0 0 0
63 66 1 0 0 0 0
67 68 1 1 0 0 0
68 69 1 1 0 0 0
70 69 1 1 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
72 67 1 0 0 0 0
69 73 1 0 0 0 0
67 74 1 0 0 0 0
68 75 1 0 0 0 0
66 70 1 0 0 0 0
72 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 2 0 0 0 0
78 80 1 0 0 0 0
80 81 2 0 0 0 0
81 82 1 0 0 0 0
82 83 2 0 0 0 0
83 84 1 0 0 0 0
84 85 2 0 0 0 0
85 86 1 0 0 0 0
86 87 2 0 0 0 0
87 82 1 0 0 0 0
85 88 1 0 0 0 0
23 89 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAIGL0033
FORMULA C59H67O30
EXACTMASS 1255.371715804
AVERAGEMASS 1256.14528
SMILES c(c9)(ccc(c9)O)C=CC(OCC(C8O)OC(C(C8O)O)Oc(c1)ccc(C=CC(OC(C(O)2)C(OC(OCC(C(O)3)OC(Oc(c6)c(c(c7)cc(OC)c(O)c7OC)[o+1]c(c64)cc(cc4OC(C5O)OC(C(C5O)O)CO)O)C(O)C3O)C2O)C)=O)c1)=O
M END
