Mol:FL7AACGL0062
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
84 91 0 0 0 0 0 0 0 0999 V2000
-3.6368 0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6368 -0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9221 -0.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2074 -0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2074 0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9221 1.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4927 -0.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7779 -0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7779 0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4927 1.0956 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.0635 1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6650 0.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3932 1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3932 1.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6650 2.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0635 1.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3512 1.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1215 2.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9221 -1.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1218 -0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8385 -0.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3546 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0979 -0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8149 -0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2938 -0.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6437 -0.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3983 -1.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8978 -1.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4501 -0.6238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6650 3.1980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8429 -2.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1151 -3.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6539 -2.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0837 -2.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7414 -2.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1032 -2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3259 -3.3769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7707 -3.4992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8568 -2.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9248 -2.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2756 -1.7452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9624 -0.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5156 -3.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2322 -3.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1965 -2.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5700 -1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2503 -2.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1779 -2.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4936 -3.8751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0701 -1.9863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8969 0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6526 0.2609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8986 1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6632 1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6648 2.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0093 2.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0111 3.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6684 4.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3238 3.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3220 2.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6702 5.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3203 0.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4362 -2.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0916 -3.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1237 -2.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4815 -3.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1963 -3.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6199 -3.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4671 -3.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8907 -3.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4671 -2.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6199 -2.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6002 -3.2293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2756 -1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9071 -0.6378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6359 -0.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0195 -4.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8703 -1.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6965 -2.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6359 0.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7122 0.5859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3237 0.4496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0810 -4.5769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9071 -5.0538 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
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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 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
22 27 1 0 0 0 0
23 28 1 0 0 0 0
24 29 1 0 0 0 0
15 30 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
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
34 19 1 0 0 0 0
25 42 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 48 1 0 0 0 0
48 43 1 0 0 0 0
43 49 1 0 0 0 0
20 21 1 0 0 0 0
27 46 1 0 0 0 0
50 45 1 0 0 0 0
51 52 2 0 0 0 0
51 53 1 0 0 0 0
53 54 2 0 0 0 0
54 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 55 1 0 0 0 0
58 61 1 0 0 0 0
62 51 1 0 0 0 0
62 42 1 0 0 0 0
50 63 1 0 0 0 0
63 64 2 0 0 0 0
63 65 1 0 0 0 0
65 66 2 0 0 0 0
66 67 1 0 0 0 0
67 68 2 0 0 0 0
68 69 1 0 0 0 0
69 70 2 0 0 0 0
70 71 1 0 0 0 0
71 72 2 0 0 0 0
72 67 1 0 0 0 0
70 73 1 0 0 0 0
41 74 1 0 0 0 0
74 75 2 0 0 0 0
74 76 1 0 0 0 0
44 77 1 0 0 0 0
78 79 1 0 0 0 0
71 78 1 0 0 0 0
80 82 1 0 0 0 0
80 81 2 0 0 0 0
76 80 1 0 0 0 0
83 84 1 0 0 0 0
69 83 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 78 79
M SBL 1 1 86
M SMT 1 OCH3
M SBV 1 86 -0.4032 -0.6984
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 80 81 82
M SBL 2 1 89
M SMT 2 COOH
M SBV 2 89 0.0000 -0.7041
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 83 84
M SBL 3 1 91
M SMT 3 OCH3
M SBV 3 91 -0.6139 0.6139
S SKP 5
ID FL7AACGL0062
FORMULA C55H57O29
EXACTMASS 1181.298550862
AVERAGEMASS 1182.02368
SMILES c(c(O)7)c([o+1]1)c(c(OC(C(O)8)OC(C(O)C(O)8)COC(CC(O)=O)=O)c7)cc(OC(C(OC(C5OC(=O)C=Cc(c6)cc(OC)c(O)c(OC)6)OCC(C(O)5)O)3)OC(COC(C=Cc(c4)ccc(c4)O)=O)C(C3O)O)c1c(c2)cc(O)c(O)c2
M END
