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Mol:FL3FAAGS0034 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
42 46 0 0 0 0 0 0 0 0999 V2000<br />
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-1.6019 1.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1 2 1 0 0 0 0<br />
2 3 2 0 0 0 0<br />
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6 1 2 0 0 0 0<br />
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10 5 1 0 0 0 0<br />
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16 17 2 0 0 0 0<br />
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1 18 1 0 0 0 0<br />
3 19 1 0 0 0 0<br />
15 20 1 0 0 0 0<br />
21 22 1 1 0 0 0<br />
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39 34 1 0 0 0 0<br />
27 30 1 0 0 0 0<br />
38 40 1 0 0 0 0<br />
26 41 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 41 42<br />
M SBL 1 1 45<br />
M SMT 1 CH2OH<br />
M SVB 1 45 -2.2689 1.2346<br />
S SKP 8<br />
ID FL3FAAGS0034<br />
KNApSAcK_ID C00004170<br />
NAME Apigenin 7-(4''-Z-p-coumarylglucoside)<br />
CAS_RN -<br />
FORMULA C30H26O12<br />
EXACTMASS 578.1424262959999<br />
AVERAGEMASS 578.5202400000001<br />
SMILES O[C@H]([C@@H]1O)[C@@H](OC(C=Cc(c5)ccc(c5)O)=O)C(O[C@H]1Oc(c4)cc(c(c43)C(=O)C=C(O3)c(c2)ccc(O)c2)O)CO<br />
M END<br />
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