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Mol:FL3FACDS0024 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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18 53 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 49 50<br />
M SBL 1 1 54<br />
M SMT 1 CH2OH<br />
M SBV 1 54 -0.2857 1.0663<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 51 52<br />
M SBL 2 1 57<br />
M SMT 2 ^ CH2OH<br />
M SBV 2 57 0.4744 -0.4744<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 53 54<br />
M SBL 3 1 59<br />
M SMT 3 CH2OH<br />
M SBV 3 59 -0.4579 -0.4579<br />
S SKP 5<br />
ID FL3FACDS0024<br />
FORMULA C33H40O21<br />
EXACTMASS 772.206208342<br />
AVERAGEMASS 772.6581<br />
SMILES c(c1C(C(O)6)OC(C(O)C6O)CO)(O3)c(C(C=C(c(c4)cc(OC(O5)C(C(O)C(O)C5CO)O)c(O)c4)3)=O)c(c(C(O2)C(O)C(O)C(O)C2CO)c1O)O<br />
M END<br />
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