Mol:FL7AACGL0095
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
118128 0 0 0 0 0 0 0 0999 V2000
-0.6218 5.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0928 6.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0928 6.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6218 7.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3364 6.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3364 6.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8073 5.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5218 6.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5218 6.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8073 7.3539 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.2024 7.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8856 6.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5687 7.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5687 8.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8856 8.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2024 8.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2782 8.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9554 7.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6218 4.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0338 5.6070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0152 6.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2227 6.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4811 6.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5277 6.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3203 7.4515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0620 6.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7593 7.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4233 6.9514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0293 6.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5960 6.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0293 5.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3504 5.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3504 4.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0552 4.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0552 3.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3504 2.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6454 3.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6454 4.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3504 2.1994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5088 2.8785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4112 6.1994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8824 5.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8049 6.2980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9783 4.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0155 4.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7579 4.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0819 3.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0450 3.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3026 3.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6965 5.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1348 3.7822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2391 2.6483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5993 2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2748 2.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6064 1.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9293 2.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6281 0.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4039 6.8883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2869 5.9098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3220 5.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9909 5.2487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2117 4.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1766 4.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5077 4.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0007 6.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1500 4.8218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1767 3.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5247 3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8759 3.2398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3977 2.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0583 3.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3977 1.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7844 1.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7844 0.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0620 0.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0620 -0.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7844 -0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5067 -0.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5067 0.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0621 -0.7761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7858 -1.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8224 -2.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8637 -2.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4719 -3.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6128 -4.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5714 -4.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9634 -3.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4583 -1.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5960 -3.6399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4704 -4.8558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9603 -4.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3484 -5.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3433 -5.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0549 -6.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8022 -6.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1199 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4969 -6.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8091 -6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1213 -6.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1213 -7.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8091 -7.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4969 -7.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8091 -8.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5135 -7.6555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6707 -7.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1879 -8.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2538 -7.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6748 -8.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1919 -7.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7423 -7.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3593 -7.4174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0129 -7.9964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2360 -8.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9475 0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2281 1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1067 0.0693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3312 -6.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7847 -6.5197 0.0000 O 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
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
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
18 24 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 33 1 0 0 0 0
36 39 1 0 0 0 0
35 40 1 0 0 0 0
21 41 1 0 0 0 0
22 42 1 0 0 0 0
23 43 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
48 47 1 1 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
20 45 1 0 0 0 0
44 50 1 0 0 0 0
49 51 1 0 0 0 0
48 52 1 0 0 0 0
47 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
55 57 1 0 0 0 0
13 58 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 1 0 0 0
62 61 1 1 0 0 0
63 62 1 1 0 0 0
63 64 1 0 0 0 0
64 59 1 0 0 0 0
58 60 1 0 0 0 0
59 65 1 0 0 0 0
64 66 1 0 0 0 0
63 67 1 0 0 0 0
62 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 2 0 0 0 0
70 72 1 0 0 0 0
72 73 2 0 0 0 0
73 74 1 0 0 0 0
74 75 2 0 0 0 0
75 76 1 0 0 0 0
76 77 2 0 0 0 0
77 78 1 0 0 0 0
78 79 2 0 0 0 0
79 74 1 0 0 0 0
78 80 1 0 0 0 0
77 81 1 0 0 0 0
82 83 1 0 0 0 0
83 84 1 1 0 0 0
85 84 1 1 0 0 0
86 85 1 1 0 0 0
86 87 1 0 0 0 0
87 82 1 0 0 0 0
81 83 1 0 0 0 0
82 88 1 0 0 0 0
87 89 1 0 0 0 0
86 90 1 0 0 0 0
85 91 1 0 0 0 0
91 92 1 0 0 0 0
92 93 1 0 0 0 0
93 94 2 0 0 0 0
93 95 1 0 0 0 0
95 96 2 0 0 0 0
96 97 1 0 0 0 0
97 98 2 0 0 0 0
98 99 1 0 0 0 0
99100 2 0 0 0 0
100101 1 0 0 0 0
101102 2 0 0 0 0
102 97 1 0 0 0 0
101103 1 0 0 0 0
100104 1 0 0 0 0
105106 1 1 0 0 0
106107 1 1 0 0 0
108107 1 1 0 0 0
108109 1 0 0 0 0
109110 1 0 0 0 0
110105 1 0 0 0 0
105111 1 0 0 0 0
106112 1 0 0 0 0
107113 1 0 0 0 0
104108 1 0 0 0 0
114115 2 0 0 0 0
114116 1 0 0 0 0
57114 1 0 0 0 0
117118 1 0 0 0 0
110117 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 114 115 116
M SBL 1 1 126
M SMT 1 ^ COOH
M SBV 1 126 0.6807 0.3279
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 117 118
M SBL 2 1 128
M SMT 2 ^ CH2OH
M SBV 2 128 0.5889 -0.6904
S SKP 5
ID FL7AACGL0095
FORMULA C75H81O43
EXACTMASS 1669.415156338
AVERAGEMASS 1670.41984
SMILES OC(C(Oc(c5c(c6)ccc(O)c6OC(O7)C(O)C(O)C(O)C7COC(=O)C=Cc(c8)ccc(OC(O9)C(O)C(O)C(O)C(COC(C=Cc(c%11)ccc(c%11O)OC(C(O)%10)OC(C(O)C%10O)CO)=O)9)c8O)cc(c4[o+1]5)c(O)cc(c4)OC(O2)C(O)C(C(C2COC(=O)C=Cc(c3)cc(c(O)c3)O)O)O)1)C(O)C(C(O1)COC(=O)CC(=O)O)O
M END
