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Mol:FL5FADGL0026 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
56 61 0 0 0 0 0 0 0 0999 V2000<br />
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6 1 2 0 0 0 0<br />
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25 26 1 0 0 0 0<br />
26 21 1 0 0 0 0<br />
21 27 1 0 0 0 0<br />
26 28 1 0 0 0 0<br />
25 29 1 0 0 0 0<br />
24 30 1 0 0 0 0<br />
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34 33 1 1 0 0 0<br />
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35 36 1 0 0 0 0<br />
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34 40 1 0 0 0 0<br />
40 30 1 0 0 0 0<br />
22 41 1 0 0 0 0<br />
41 8 1 0 0 0 0<br />
42 43 1 1 0 0 0<br />
43 44 1 1 0 0 0<br />
45 44 1 1 0 0 0<br />
45 46 1 0 0 0 0<br />
46 47 1 0 0 0 0<br />
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51 52 1 0 0 0 0<br />
16 53 1 0 0 0 0<br />
53 54 1 0 0 0 0<br />
47 55 1 0 0 0 0<br />
55 56 1 0 0 0 0<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 CH2OH<br />
M SVB 3 60 -3.7446 1.2496<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 2.6986 -1.0393<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 53 54<br />
M SBL 1 1 58<br />
M SMT 1 OCH3<br />
M SVB 1 58 2.4655 2.6308<br />
S SKP 8<br />
ID FL5FADGL0026<br />
KNApSAcK_ID C00005581<br />
NAME Isorhamnetin 3-gentiobioside-7-glucoside<br />
CAS_RN -<br />
FORMULA C34H42O22<br />
EXACTMASS 802.216773028<br />
AVERAGEMASS 802.68408<br />
SMILES O[C@H]([C@@H]1OC[C@@H](O2)[C@@H](C(C(O)[C@H](OC(=C(c(c6)cc(c(c6)O)OC)3)C(c(c4O)c(cc(O[C@@H]([C@H]5O)OC([C@@H]([C@H](O)5)O)CO)c4)O3)=O)2)O)O)[C@@H](O)[C@@H](O)C(O1)CO<br />
M END<br />
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