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Mol:FL2FAAGS0012 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
42 46 0 0 0 0 0 0 0 0999 V2000<br />
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26 41 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 41 42<br />
M SBL 1 1 45<br />
M SMT 1 CH2OH<br />
M SVB 1 45 -1.2736 1.131<br />
S SKP 8<br />
ID FL2FAAGS0012<br />
KNApSAcK_ID C00008212<br />
NAME Prunin 3''-p-coumarate<br />
CAS_RN 84813-73-0<br />
FORMULA C30H28O12<br />
EXACTMASS 580.15807636<br />
AVERAGEMASS 580.53612<br />
SMILES c(C=CC(=O)O[C@H]([C@@H]2O)[C@H](C(CO)O[C@@H](Oc(c5)cc(c4c(O)5)OC(CC(=O)4)c(c3)ccc(O)c3)2)O)(c1)ccc(O)c1<br />
M END<br />
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