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Mol:FLIFHXGF0002 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
42 47 0 0 0 0 0 0 0 0999 V2000<br />
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16 17 2 0 0 0 0<br />
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18 19 2 0 0 0 0<br />
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16 39 1 0 0 0 0<br />
39 40 1 0 0 0 0<br />
17 41 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 37 38<br />
M SBL 3 1 42<br />
M SMT 3 CH2OH<br />
M SVB 3 42 -3.6321 1.9022<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 41 42<br />
M SBL 2 1 46<br />
M SMT 2 OCH3<br />
M SVB 2 46 4.0195 -1.6658<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 39 40<br />
M SBL 1 1 44<br />
M SMT 1 OCH3<br />
M SVB 1 44 2.8352 -1.9371<br />
S SKP 8<br />
ID FLIFHXGF0002<br />
KNApSAcK_ID C00010182<br />
NAME 12-Dihydrodalbinol O-glucoside;12-Dihydrodalbin<br />
CAS_RN 97640-97-6<br />
FORMULA C29H34O13<br />
EXACTMASS 590.199941174<br />
AVERAGEMASS 590.57246<br />
SMILES C(O)C(O1)[C@@H]([C@H](O)[C@H](O)[C@@H]1OCC(=C)C(O2)Cc(c36)c(ccc3C(C(C(O6)4)(c(c5)c(cc(OC)c(OC)5)OC4)O)O)2)O<br />
M END<br />
</pre></div>
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