Mol:FL5FADGL0018

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FL5FADGL0018.png

 
 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  53  54 
M  SBL   2  1  58 
M  SMT   2  CH2OH 
M  SVB   2 58   -0.2476    -1.241 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  55  56 
M  SBL   1  1  60 
M  SMT   1  OCH3 
M  SVB   1 60    0.9491    3.2436 
S  SKP  8 
ID	FL5FADGL0018 
KNApSAcK_ID	C00005569 
NAME	Isorhamnetin 3-gentiotrioside 
CAS_RN	84534-25-8 
FORMULA	C34H42O22 
EXACTMASS	802.216773028 
AVERAGEMASS	802.68408 
SMILES	c(c(C(O5)=C(C(=O)c(c6O)c5cc(c6)O)O[C@@H](C2O)O[C@H](CO[C@H](O3)[C@@H](O)[C@H]([C@@H](O)C(CO[C@H](O4)[C@H]([C@@H](O)[C@H](C4CO)O)O)3)O)[C@H](O)C(O)2)1)cc(c(OC)c1)O 
M  END
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