Mol:FL7AAAGL0038

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FL7AAAGL0038.png 

<pre>

Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  3  62  63  65
M  SBL   2  1  67
M  SMT   2  COOH
M  SVB   2 67   -3.9656    0.9635
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  57  58  59
M  SBL   1  1  62
M  SMT   1  COOH
M  SVB   1 62   -4.2313   -2.0023
S  SKP  8
ID	FL7AAAGL0038
KNApSAcK_ID	C00006777
NAME	Monardaein
CAS_RN	144606-89-3
FORMULA	C42H41O23
EXACTMASS	913.203862618
AVERAGEMASS	913.7611400000001
SMILES	O=C(OCC(O1)[C@@H]([C@H](O)[C@H](O)[C@@H]1Oc(c26)cc(cc2[o+1]c(c(c6)O[C@H](O4)C(C([C@@H](O)[C@H]4COC(=O)C=Cc(c5)ccc(c5)O)O)O)c(c3)ccc(O)c3)O)OC(CC(O)=O)=O)CC(O)=O
M  END

</pre>

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