Mol:FL7AAAGL0075
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
115126 0 0 0 0 0 0 0 0999 V2000
8.9223 0.2247 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
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6.4166 -2.9477 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.4919 2.8919 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.4919 4.3223 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2543 3.6071 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.3169 5.7527 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
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8.5537 -2.5132 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.7672 -3.3101 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
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8.0482 -2.1324 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8347 -2.9293 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4560 1.6245 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6818 1.6919 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.6856 0.9775 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2732 1.6919 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.4758 0.6032 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.2693 0.9775 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0626 2.1974 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.5699 6.9976 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2952 7.5801 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0613 7.1232 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8089 6.9109 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1955 7.5801 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4524 7.3678 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0561 7.5614 2.1664 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7583 7.8978 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9893 7.3674 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
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10 16 1 0
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100101 1 0
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108109 1 1
109110 1 1
111110 1 1
111112 1 0
112107 1 0
107113 1 0
112114 1 0
110106 1 0
111115 1 0
41106 1 0
108 43 1 0
54 88 1 0
M CHG 1 6 1
S SKP 9
AUTODRAW FALSE
ID FL7AAAGL0075
KNApSAcK_ID
NAME
CAS_RN 270062-81-2
FORMULA C72H77O41
EXACTMASS 1597.394026966
AVERAGEMASS 1598.35718
SMILES O=C(OCC(O7)C(O)C(O)C(O)C7Oc(c%12)ccc(c%12)C(O9)=C(C(=O)c(c(O)%10)c9cc(OC(C(O)%11)OCC(O)C%11O)c%10)OC(C8O)OC(C(C8O)O)CO)CCC(OCC(O1)C(C(C(C1Oc(c6)cc(O)c(c62)cc(OC(C5O)OC(C(C(O)5)O)COC(C([H])=C([H])c(c4)ccc(c4)O)=O)c(c(c3)cc(O)c(O)c(O)3)[o+1]2)O)O)O)=O
M END
