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Mol:FL3FACDS0018 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 51 52<br />
M SBL 1 1 56<br />
M SMT 1 CH2OH<br />
M SBV 1 56 -6.1330 7.1031<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 53 54<br />
M SBL 2 1 58<br />
M SMT 2 ^CH2OH<br />
M SBV 2 58 -7.1067 7.5552<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 55 56<br />
M SBL 3 1 60<br />
M SMT 3 OCH3<br />
M SBV 3 60 -7.1444 6.6103<br />
S SKP 8<br />
ID FL3FACDS0018<br />
KNApSAcK_ID C00006331<br />
NAME Isoorientin 4'-O-glucoside 2''-O-(E)-ferulate<br />
CAS_RN 60077-50-1<br />
FORMULA C37H38O19<br />
EXACTMASS 786.200729034<br />
AVERAGEMASS 786.68622<br />
SMILES OC(C(CO)6)C(O)C(C(O6)Oc(c1)c(cc(C(=C5)Oc(c4C5=O)cc(O)c(c4O)C(C(OC(=O)C=Cc(c3)cc(OC)c(O)c3)2)OC(CO)C(C(O)2)O)c1)O)O<br />
M END<br />
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