Mol:FL3FAADS0039
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 40 44 0 0 0 0 0 0 0 0999 V2000 0.7539 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0394 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6751 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6751 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0394 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7539 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3895 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3895 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7497 0.5169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3895 -1.8329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0394 -1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5356 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2501 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9646 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9646 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2501 1.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5356 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5798 1.7756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 -0.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4088 -0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3310 0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6827 0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9108 0.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9885 -0.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3851 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0344 -0.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0361 -1.4838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0809 -1.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9349 -0.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7126 -0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3001 -1.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5020 -1.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7088 -1.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1212 -0.5303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9194 -0.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9349 -0.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8908 0.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0958 -0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 5 13 2 0 0 0 0 1 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 17 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 20 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 35 9 1 0 0 0 0 33 38 1 0 0 0 0 32 39 1 0 0 0 0 37 40 1 0 0 0 0 S SKP 8 ID FL3FAADS0039 KNApSAcK_ID C00014045 NAME Rhamnellaflavoside A;6-C-beta-D-Oliopyranosylapigenin 4'-O-beta-D-glucopyranoside CAS_RN 681287-08-1 FORMULA C27H30O13 EXACTMASS 562.168641046 AVERAGEMASS 562.5193 SMILES OC(C5CO)C(O)C(C(O5)Oc(c1)ccc(C(O4)=CC(=O)c(c42)c(c(C(C3)OC(C(C(O)3)O)C)c(O)c2)O)c1)O M END