Mol:FL7AAGGL0055
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
72 78 0 0 0 0 0 0 0 0999 V2000
-3.3969 0.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.6664 0.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6664 1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9520 1.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2375 1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.7497 -3.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.5155 -4.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9264 -3.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8982 -5.4035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAGGL0055
KNApSAcK_ID C00014806
NAME Ternatin C3
CAS_RN 215378-76-0
FORMULA C45H49O27
EXACTMASS 1021.2461213619999
AVERAGEMASS 1021.8543599999999
SMILES C(O)(C7O)C(CO)OC(C7O)Oc(c3)c(c(cc3c(c5OC(O6)C(O)C(C(O)C6COC(CC(O)=O)=O)O)[o+1]c(c(c5)4)cc(cc(O)4)O)OC(O1)C(O)C(O)C(C1COC(C=Cc(c2)ccc(c2)O)=O)O)O
M END
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