Mol:FL7AACGL0094
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
115125 0 0 0 0 0 0 0 0999 V2000
-0.3815 5.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3330 6.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3330 6.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3815 7.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0960 6.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0960 6.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0476 5.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7620 6.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7620 6.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0476 7.3395 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.4427 7.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1258 6.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8089 7.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8089 8.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1258 8.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4427 8.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5184 8.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6804 7.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3815 4.9163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2758 5.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8141 6.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0217 6.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2800 6.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3268 6.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1192 7.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8609 6.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6132 7.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3376 6.7419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8282 6.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4779 6.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8282 5.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1493 5.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1493 4.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8541 4.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8541 3.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1493 2.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4444 3.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4444 4.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1493 2.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1332 6.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8664 5.7450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3982 6.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2560 4.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2930 4.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0354 4.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3595 3.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3225 3.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5801 3.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9131 5.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3621 3.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4160 2.5778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8967 2.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2759 2.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8469 1.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0650 1.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2524 0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4636 6.9419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2423 5.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2773 5.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9462 5.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1670 4.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1320 4.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4630 4.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0902 6.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3192 4.6807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2121 3.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7740 3.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3166 3.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7548 2.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4779 2.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7548 1.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1416 1.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1416 0.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4191 0.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4191 -0.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1416 -1.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8638 -0.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8638 0.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1250 -1.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7742 -2.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8504 -2.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3191 -3.3539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2919 -4.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2158 -4.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7472 -3.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6363 -2.1901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3843 -4.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0583 -5.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3120 -4.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5300 -5.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5010 -6.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2102 -6.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8816 -6.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1476 -6.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3967 -6.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7088 -6.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0210 -6.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0210 -7.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7088 -7.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3967 -7.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4133 -7.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7711 -7.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2883 -8.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3541 -7.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4257 -8.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9084 -7.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8427 -7.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4090 -7.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0643 -8.2086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7606 -8.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0064 0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1758 0.3786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4416 -0.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2219 -6.9491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6753 -6.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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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
21 40 1 0 0 0 0
22 41 1 0 0 0 0
23 42 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
20 44 1 0 0 0 0
43 49 1 0 0 0 0
48 50 1 0 0 0 0
47 51 1 0 0 0 0
46 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 2 0 0 0 0
54 56 1 0 0 0 0
13 57 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 1 0 0 0
61 60 1 1 0 0 0
62 61 1 1 0 0 0
62 63 1 0 0 0 0
63 58 1 0 0 0 0
57 59 1 0 0 0 0
58 64 1 0 0 0 0
63 65 1 0 0 0 0
62 66 1 0 0 0 0
61 67 1 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
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75 76 2 0 0 0 0
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76 79 1 0 0 0 0
80 81 1 0 0 0 0
81 82 1 1 0 0 0
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84 83 1 1 0 0 0
84 85 1 0 0 0 0
85 80 1 0 0 0 0
79 81 1 0 0 0 0
80 86 1 0 0 0 0
85 87 1 0 0 0 0
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83 89 1 0 0 0 0
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90 91 1 0 0 0 0
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91 93 1 0 0 0 0
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94 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
100 95 1 0 0 0 0
98101 1 0 0 0 0
102103 1 1 0 0 0
103104 1 1 0 0 0
105104 1 1 0 0 0
105106 1 0 0 0 0
106107 1 0 0 0 0
107102 1 0 0 0 0
102108 1 0 0 0 0
103109 1 0 0 0 0
104110 1 0 0 0 0
101105 1 0 0 0 0
111112 2 0 0 0 0
111113 1 0 0 0 0
56111 1 0 0 0 0
114115 1 0 0 0 0
107114 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 111 112 113
M SBL 1 1 123
M SMT 1 ^ COOH
M SBV 1 123 0.2460 0.5363
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 114 115
M SBL 2 1 125
M SMT 2 ^ CH2OH
M SBV 2 125 0.3792 -0.6615
S SKP 5
ID FL7AACGL0094
FORMULA C75H81O40
EXACTMASS 1621.430412472
AVERAGEMASS 1622.42164
SMILES Oc(c1)c(OC(C(O)7)OC(COC(C=Cc(c8)ccc(OC(C%11O)OC(C(O)C%11O)COC(C=Cc(c9)ccc(OC(O%10)C(C(C(O)C%10CO)O)O)c9)=O)c8)=O)C(O)C7O)cc(c(c(OC(O6)C(O)C(O)C(C(COC(=O)CC(=O)O)6)O)5)[o+1]c(c2c5)cc(OC(C4O)OC(C(C(O)4)O)COC(=O)C=Cc(c3)ccc(c3)O)cc(O)2)c1
M END
