Mol:FL7AACGL0122
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
132143 0 0 0 0 0 0 0 0999 V2000
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0.3049 0.4415 2.4048 O 0 0 0 0 0 0 0 0 0 0 0 0
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4.9245 0.1125 -1.9751 C 0 0 0 0 0 0 0 0 0 0 0 0
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113114 1 0
114115 1 1
115116 1 1
117116 1 1
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125124 1 1
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127122 1 0
124128 1 0
122129 1 0
123130 1 0
127131 1 0
131132 1 0
63125 1 0
M CHG 1 7 1
S SKP 9
AUTODRAW FALSE
ID FL7AACGL0122
KNApSAcK_ID
NAME
CAS_RN 865377-16-8
FORMULA C82H93O48
EXACTMASS 1845.4836298320001
AVERAGEMASS 1846.58702
SMILES C(=CC(OC(C%12O)OC(C(C%12O)O)COc(c(O)%11)ccc(c%11)C=CC(=O)OC(C3OC(C(O)4)C(Oc(c9)c(c(c%10)cc(O)c(O)c%10)[o+1]c(c79)cc(O)cc7OC(O8)C(O)C(C(O)C8COC(=O)CC(O)=O)O)OC(COC(=O)C([H])=C([H])c(c6)cc(c(c(OC)6)OC(C(O)5)OC(C(O)C5O)CO)OC)C4O)C(C(O)CO3)O)=O)c(c2)cc(c(c2)OC(C(O)1)OC(C(O)C(O)1)CO)O
M END
