Mol:FL7AACGL0128
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
124134 0 0 0 0 0 0 0 0999 V2000
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0.4061 8.5210 -0.1585 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.7307 1.9941 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.2680 2.2116 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6712 1.6250 0.2711 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2680 2.8235 -0.1585 O 0 0 0 0 0 0 0 0 0 0 0 0
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6.4512 -3.4511 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9417 -2.9214 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0766 -2.3389 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6902 -3.0081 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4331 -2.7958 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
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7.8647 -1.0086 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5792 -2.2461 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
2 4 2 0
3 5 1 0
3 6 2 0
4 7 1 0
5 8 2 0
5 9 1 0
6 10 1 0
7 10 1 0
7 11 2 0
8 12 1 0
9 13 2 0
10 14 2 0
11 15 1 0
11 16 1 0
12 17 2 0
12 18 1 0
13 17 1 0
14 19 1 0
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19 21 1 0
22 23 1 0
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65 67 1 0
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80 79 1 1
81 80 1 1
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82 83 1 0
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78 85 1 0
79 86 1 0
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52 87 1 0
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22 88 1 0
18 90 1 0
99100 1 0
100101 1 1
101102 1 1
103102 1 1
103104 1 0
104 99 1 0
99105 1 0
104106 1 0
102 98 1 0
103107 1 0
21100 1 0
24 98 1 0
110111 1 0
111112 1 1
112113 1 1
114113 1 1
114115 1 0
115110 1 0
110116 1 0
115117 1 0
113109 1 0
114118 1 0
108109 1 0
119120 1 0
119121 2 0
120122 1 0
122123 1 0
122124 2 0
108119 1 0
1111 1 0
M CHG 1 6 1
S SKP 9
AUTODRAW FALSE
ID FL7AACGL0128
KNApSAcK_ID
NAME
CAS_RN 171204-55-0
FORMULA C75H81O43
EXACTMASS 1669.415156338
AVERAGEMASS 1670.41984
SMILES Oc(c%11O)ccc(c%11)C([H])=C([H])C(OCC(C%10O)OC(C(C%10O)O)Oc(c9)cc(c7c9O)[o+1]c(c(OC(O8)C(O)C(C(O)C8COC(=O)CC(O)=O)O)c7)c(c1)ccc(c1OC(C(O)2)OC(COC(C(=C([H])c(c3)ccc(OC(C4O)OC(COC(C(=C([H])c(c5)cc(OCC(C(O)6)OC(C(O)C(O)6)O)c(c5)O)[H])=O)C(C4O)O)c(O)3)[H])=O)C(O)C(O)2)O)=O
M END
