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Mol:FLIA1AGS0005 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
41 45 0 0 0 0 0 0 0 0999 V2000<br />
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1.3634 0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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-3.6228 1.4655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.5207 -1.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.6957 -1.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1 2 1 1 0 0 0<br />
2 3 1 1 0 0 0<br />
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11 12 2 0 0 0 0<br />
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13 14 2 0 0 0 0<br />
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15 16 1 0 0 0 0<br />
16 17 2 0 0 0 0<br />
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11 19 1 0 0 0 0<br />
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10 32 1 0 0 0 0<br />
34 38 1 0 0 0 0<br />
38 39 1 0 0 0 0<br />
3 40 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 38 39<br />
M SBL 1 1 42<br />
M SMT 1 ^CH2OH<br />
M SBV 1 42 -6.1971 5.6874<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 40 41<br />
M SBL 2 1 44<br />
M SMT 2 CH2OH<br />
M SBV 2 44 -5.4350 4.0915<br />
S SKP 8<br />
ID FLIA1AGS0005<br />
KNApSAcK_ID C00010080<br />
NAME Daidzein 7,4'-di-O-glucoside<br />
CAS_RN 53681-67-7<br />
FORMULA C27H30O14<br />
EXACTMASS 578.163555668<br />
AVERAGEMASS 578.5187000000001<br />
SMILES O(c(c5)cc(c2c5)OC=C(c(c4)ccc(c4)OC(O3)C(O)C(O)C(O)C3CO)C2=O)C(C(O)1)OC(C(O)C(O)1)CO<br />
M END<br />
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