Mol:FL7AAIGL0020

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FL7AAIGL0020.png 

<pre>

Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  62  63
M  SBL   3  1  67
M  SMT   3  OCH3
M  SVB   3 67    0.8277    1.2645
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  60  61
M  SBL   2  1  65
M  SMT   2  OCH3
M  SVB   2 65    0.3346    3.0289
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  56  57  58
M  SBL   1  1  61
M  SMT   1  COOH
M  SVB   1 61   -5.7809    0.5932
S  SKP  8
ID	FL7AAIGL0020
KNApSAcK_ID	C00006911
NAME	Salviamalvin
CAS_RN	128508-48-5
FORMULA	C41H43O22
EXACTMASS	887.22459806
AVERAGEMASS	887.76692
SMILES	[C@@H]([C@@H](O)6)([C@H](O)[C@@H](OC6COC(=O)CC(O)=O)Oc(c21)cc(cc1[o+1]c(c(c5)cc(c(c5OC)O)OC)c(O[C@H](O3)C(C([C@@H](O)[C@@H](COC(C=Cc(c4)ccc(O)c4)=O)3)O)O)c2)O)O
M  END

</pre>

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