Mol:FL7AACGL0120
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
128139 0 0 0 0 0 0 0 0999 V2000
-1.6429 3.6987 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6429 4.5237 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.8284 1.7805 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.4603 -3.4068 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4529 4.0007 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0
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5.6157 4.5242 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1868 4.5242 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6157 5.3492 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3302 5.7617 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3302 6.5868 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0446 5.3492 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0446 6.9993 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7592 5.7617 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7592 6.5868 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0446 7.8243 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0
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-2.4153 1.3352 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5224 0.9787 2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2504 0.9787 2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3049 0.4415 2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4949 -0.3122 2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2677 -0.3123 2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7123 0.2251 2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3242 0.2251 2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4804 -1.1061 2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9245 0.1125 -1.9751 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2914 1.8876 -1.9751 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6222 2.2739 -1.9751 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8345 1.5311 -1.9751 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6222 0.7834 -1.9751 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2914 0.3969 -1.9751 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0791 1.1400 -1.9751 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2727 2.6485 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6090 0.8340 -1.9751 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3676 -0.6372 -1.9751 O 0 0 0 0 0 0 0 0 0 0 0 0
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8.4356 3.4765 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9365 3.8609 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7166 4.6542 -2.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5031 3.8573 -2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 2 0
2 6 1 0
2 7 2 0
3 8 1 0
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5 10 1 0
6 11 1 0
6 12 2 0
7 13 1 0
8 13 2 0
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12 20 1 0
13 21 1 0
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17 25 2 0
17 26 1 0
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25 32 1 0
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35 39 2 0
36 40 1 0
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68 69 1 1
70 69 1 1
71 70 1 1
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70 74 1 0
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78 79 1 1
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48 81 1 0
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92 91 1 1
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100101 1 0
101102 1 1
102103 1 1
104103 1 1
104105 1 0
105100 1 0
105106 1 0
104107 1 0
96101 1 0
5 99 1 0
89 1 1 0
16100 1 0
109110 1 0
110111 1 1
111112 1 1
113112 1 1
113114 1 0
114109 1 0
109115 1 0
114116 1 0
113117 1 0
112108 1 0
108 47 1 0
49110 1 0
118119 1 1
120119 1 1
121120 1 1
121122 1 0
122123 1 0
123118 1 0
120124 1 0
118125 1 0
119126 1 0
123127 1 0
127128 1 0
61121 1 0
M CHG 1 7 1
S SKP 9
AUTODRAW FALSE
ID FL7AACGL0120
KNApSAcK_ID
NAME
CAS_RN 865377-14-6
FORMULA C80H89O46
EXACTMASS 1785.46250046
AVERAGEMASS 1786.5350600000002
SMILES OC(C(Oc(c2)c(c4)c([o+1]c(c4OC(C(OC(C(OC(C=Cc(c%12)ccc(c%12O)OCC(O9)C(C(O)C(C9OC(C=Cc(c%11)ccc(c%11O)OC(O%10)C(C(C(O)C%10CO)O)O)=O)O)O)=O)8)OCC(C8O)O)5)OC(COC(C(=C(c(c6)ccc(OC(C7O)OC(CO)C(C7O)O)c6)[H])[H])=O)C(O)C5O)c(c3)cc(O)c(O)c3)cc2O)1)C(C(C(COC(CC(O)=O)=O)O1)O)O
M END
