Mol:FL7AACGL0100
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
99108 0 0 0 0 0 0 0 0999 V2000
-2.6536 2.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9140 2.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9140 3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6536 4.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3931 3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3931 2.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1744 2.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4348 2.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4348 3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1744 4.0332 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.3476 4.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0471 3.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7467 4.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7467 4.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0471 5.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3476 4.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3793 5.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0835 4.0047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6522 1.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2803 2.3393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0471 5.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9569 1.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2940 1.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3774 1.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3661 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0291 2.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9458 1.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5622 1.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0286 1.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8667 1.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8027 -0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7879 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4947 0.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2528 1.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7618 1.4955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0553 0.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8075 -0.8765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0490 -0.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3976 0.9287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8396 0.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3197 0.0434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1378 0.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0703 -0.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0293 -0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6848 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7527 -0.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7937 0.0665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0125 -1.3028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5342 0.2692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3885 -1.4295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2617 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6430 -0.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3202 0.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0132 -0.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3201 0.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9708 1.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3600 1.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1615 1.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5622 2.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1615 3.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3600 3.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9592 2.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4666 3.8597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1918 0.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2405 0.7883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8255 -0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6790 -0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0926 -1.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9194 -1.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3330 -2.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9194 -2.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0926 -2.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6790 -2.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7468 -3.3355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3289 -3.4969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5514 -3.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5725 -4.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5990 -4.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9086 -5.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8873 -4.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8608 -4.4076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1433 -4.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5421 -5.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1597 -5.5876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2626 -5.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6657 -4.5781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9006 -5.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9006 -5.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2822 -4.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5988 -5.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2262 -5.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6225 -5.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4151 -5.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8114 -5.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4151 -4.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6225 -4.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4785 -5.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5010 2.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0882 2.5276 0.0000 O 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
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 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
19 25 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
20 34 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
36 40 1 0 0 0 0
40 41 1 0 0 0 0
42 43 1 1 0 0 0
43 44 1 1 0 0 0
45 44 1 1 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 42 1 0 0 0 0
39 42 1 0 0 0 0
44 48 1 0 0 0 0
43 49 1 0 0 0 0
45 50 1 0 0 0 0
46 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
53 55 1 0 0 0 0
55 56 2 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
62 57 1 0 0 0 0
60 63 1 0 0 0 0
41 64 1 0 0 0 0
64 65 2 0 0 0 0
64 66 1 0 0 0 0
66 67 2 0 0 0 0
67 68 1 0 0 0 0
68 69 2 0 0 0 0
69 70 1 0 0 0 0
70 71 2 0 0 0 0
71 72 1 0 0 0 0
72 73 2 0 0 0 0
73 68 1 0 0 0 0
72 74 1 0 0 0 0
71 75 1 0 0 0 0
76 77 1 1 0 0 0
77 78 1 1 0 0 0
79 78 1 1 0 0 0
79 80 1 0 0 0 0
80 81 1 0 0 0 0
81 76 1 0 0 0 0
75 76 1 0 0 0 0
77 82 1 0 0 0 0
78 83 1 0 0 0 0
79 84 1 0 0 0 0
80 85 1 0 0 0 0
85 86 1 0 0 0 0
86 87 1 0 0 0 0
87 88 2 0 0 0 0
87 89 1 0 0 0 0
89 90 2 0 0 0 0
90 91 1 0 0 0 0
91 92 2 0 0 0 0
92 93 1 0 0 0 0
93 94 2 0 0 0 0
94 95 1 0 0 0 0
95 96 2 0 0 0 0
96 91 1 0 0 0 0
94 97 1 0 0 0 0
98 99 1 0 0 0 0
27 98 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 98 99
M SBL 1 1 108
M SMT 1 ^ CH2OH
M SBV 1 108 0.5551 -0.5096
S SKP 5
ID FL7AACGL0100
FORMULA C66H69O33
EXACTMASS 1389.3721097339999
AVERAGEMASS 1390.23426
SMILES C(O1)(C(O)C(C(O)C1Oc(c92)cc(O)cc2[o+1]c(c(c%10)ccc(c%10O)O)c(c9)OC(C(OC(C8O)OC(C(O)C8O)COC(C=Cc(c7)ccc(c7)O)=O)6)OC(C(O)C(O)6)COC(C=Cc(c5)cc(c(c5)OC(C3O)OC(COC(C=Cc(c4)ccc(c4)O)=O)C(C3O)O)O)=O)O)CO
M END
