LMPK12050223 LIPID_MAPS_STRUCTURE_DATABASE 41 45 0 0 0 999 V2000 12.6248 9.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4986 9.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3724 9.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2460 9.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2460 8.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1519 7.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0577 8.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0577 9.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1519 9.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4989 8.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3724 7.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1519 7.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9632 7.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9632 6.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8291 6.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6953 6.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6953 7.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8291 8.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3400 9.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0254 9.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8086 9.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7810 9.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0152 10.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2152 9.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3645 9.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0787 9.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6706 8.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5043 10.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4911 11.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3724 7.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0063 12.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8176 12.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0606 11.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4275 10.8079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7864 11.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8176 12.8210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0063 12.7962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8176 11.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4631 10.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4386 6.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3045 6.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 11 5 1 0 0 0 0 6 12 2 0 0 0 0 7 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 6 0 0 0 20 26 1 1 0 0 0 21 27 1 1 0 0 0 24 28 1 6 0 0 0 22 1 1 1 0 0 0 29 28 1 0 0 0 0 11 30 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 35 34 1 0 0 0 0 35 31 1 0 0 0 0 32 36 1 6 0 0 0 31 37 1 1 0 0 0 35 29 1 6 0 0 0 16 40 1 0 0 0 0 32 38 1 6 0 0 0 38 39 1 0 0 0 0 40 41 1 0 0 0 0 M END > LMPK12050223 > Biochanin A 7-O-apiosyl-(1->6)-glucoside > 7-[(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one > C27H30O14 > 578.16 > Polyketides [PK] > Flavonoids [PK12] > Isoflavonoids [PK1205] > - > Lanceolarin > VGKGODYADVWBQB-NRIIMPDMSA-N > InChI=1S/C27H30O14/c1-36-13-4-2-12(3-5-13)15-8-37-17-7-14(6-16(29)19(17)20(15)30)40-25-23(33)22(32)21(31)18(41-25)9-38-26-24(34)27(35,10-28)11-39-26/h2-8,18,21-26,28-29,31-35H,9-11H2,1H3/t18-,21-,22+,23-,24+,25-,26-,27-/m1/s1 > O([C@@H]1O[C@H](CO[C@H]2[C@H](O)[C@](CO)(O)CO2)[C@@H](O)[C@H](O)[C@H]1O)C1C=C(O)C2C(=O)C(C3C=CC(OC)=CC=3)=COC=2C=1 > - > - > - > - > - > - > 5492234 > - > - > - > - > - > 33090; 1225666 > - $$$$