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Mol:FL5FADGL0024 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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55 56 1 0 0 0 0<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 55 56<br />
M SBL 4 1 60<br />
M SMT 4 CH2OH<br />
M SVB 4 60 -3.9793 1.7832<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 53 54<br />
M SBL 3 1 58<br />
M SMT 3 CH2OH<br />
M SVB 3 58 1.3726 -2.5191<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 51 52<br />
M SBL 2 1 56<br />
M SMT 2 CH2OH<br />
M SVB 2 56 3.962 0.6614<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 OCH3<br />
M SVB 1 54 2.19 3.1025<br />
S SKP 8<br />
ID FL5FADGL0024<br />
KNApSAcK_ID C00005579<br />
NAME Isorhamnetin 3-sophoroside-7-glucoside<br />
CAS_RN 17331-29-2<br />
FORMULA C34H42O22<br />
EXACTMASS 802.216773028<br />
AVERAGEMASS 802.68408<br />
SMILES C(C([C@H]6O)O[C@@H]([C@@H]([C@@H]6O)O)OC([C@H](OC(=C2c(c5)cc(c(c5)O)OC)C(c(c4O)c(cc(c4)O[C@@H]([C@@H](O)3)OC([C@@H]([C@H](O)3)O)CO)O2)=O)1)C([C@H]([C@@H](CO)O1)O)O)O<br />
M END<br />
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