Mol:FL3FAADS0040
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 40 44 0 0 0 0 0 0 0 0999 V2000 0.7318 0.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0173 0.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6971 0.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6971 -0.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0173 -1.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7318 -0.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4116 0.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1261 0.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1261 -0.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4116 -1.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7718 0.5456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4116 -1.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0173 -1.6368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5135 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 0.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9425 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9425 1.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 1.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5135 1.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5577 1.8043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6149 -0.9004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3867 -0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3089 0.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6606 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8887 0.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9664 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 -0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0123 -0.6433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -1.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0588 -1.0093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9129 -0.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7347 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3222 -1.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5241 -0.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7309 -1.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1433 -0.5016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9415 -0.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -1.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9129 0.1809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1179 -0.0521 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 FL3FAADS0040 KNApSAcK_ID C00014046 NAME Rhamnellaflavoside B;6-C-beta-D-Boivinopyranosylapigenin 4'-O-beta-D-glucopyranoside CAS_RN 681287-09-2 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