LMPK12050220 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 10.3740 9.8872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2964 9.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2187 9.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1410 9.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1410 8.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0974 7.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0536 8.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0536 9.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0974 9.9071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2967 8.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2187 7.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0974 6.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0093 7.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0093 6.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9237 6.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8377 6.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8377 7.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9237 8.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2014 6.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5466 6.1547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2028 6.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4090 7.9441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7669 6.9961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1298 7.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7668 9.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2732 9.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5905 9.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5905 8.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7668 7.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9484 8.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9485 9.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1298 9.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2597 7.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6109 6.6027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9805 7.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6309 9.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4512 8.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4444 8.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6174 7.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8024 8.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8091 8.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 9.4580 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 11 19 1 0 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 26 32 1 0 0 0 31 25 1 0 0 0 25 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 41 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 6 0 0 37 26 1 1 0 0 38 33 1 6 0 0 39 34 1 6 0 0 40 35 1 1 0 0 27 1 1 1 0 0 M END > LMPK12050220 > Biochanin A 7-O-rutinoside > 5,7-Dihydroxy-4'-methoxyisoflavone 7-O-rhamnosyl-(1->6)-glucoside > C28H32O14 > 592.18 > Polyketides [PK] > Flavonoids [PK12] > Isoflavonoids [PK1205] > - > > WWSNSDWQADMAJB-BCECXGKMSA-N > InChI=1S/C28H32O14/c1-11-20(30)23(33)25(35)27(40-11)39-10-18-22(32)24(34)26(36)28(42-18)41-14-7-16(29)19-17(8-14)38-9-15(21(19)31)12-3-5-13(37-2)6-4-12/h3-9,11,18,20,22-30,32-36H,10H2,1-2H3/t11-,18+,20-,22+,23+,24-,25+,26+,27+,28+/m0/s1 > O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)O1)C1C=C(O)C2C(=O)C(C3C=CC(OC)=CC=3)=COC=2C=1 > - > - > - > - > - > - > 97952641 > - > - > - > - > - > 33090; 1357585 > - $$$$