LMPK12111815 LIPID_MAPS_STRUCTURE_DATABASE 65 71 0 0 0 999 V2000 9.2858 14.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2858 12.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2291 12.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1722 12.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1722 14.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2291 14.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1152 12.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0586 12.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0586 14.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1152 14.6090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1152 11.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0014 14.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9625 14.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9238 14.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9238 15.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9625 16.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0014 15.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3430 14.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8847 16.2738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7266 12.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2291 11.3421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9051 12.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4202 13.1682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7954 12.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1803 12.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9495 12.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4120 12.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3370 12.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7995 12.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3370 13.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4120 13.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7227 12.9951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3300 12.8825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3284 12.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3443 14.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8478 15.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3718 16.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3445 14.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8380 13.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8347 13.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3428 14.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8493 15.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3573 16.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2960 10.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9283 8.9937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0135 8.3148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6026 10.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4615 8.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5635 11.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3387 10.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1530 9.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1958 9.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4206 9.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4631 9.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2142 11.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7647 10.3594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3954 8.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8876 9.3351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3577 7.1686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0703 10.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0295 10.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8058 10.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6210 9.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6620 8.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4772 7.6789 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 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 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 12 1 0 0 0 0 1 18 1 0 0 0 0 15 19 1 0 0 0 0 8 20 1 0 0 0 0 3 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 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 0 0 0 42 43 1 1 0 0 38 18 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 48 54 1 0 0 0 53 47 1 0 0 0 47 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 1 0 0 50 44 1 6 0 0 51 45 1 1 0 0 52 46 1 6 0 0 59 65 1 0 0 0 64 58 1 0 0 0 58 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 1 0 0 60 44 1 1 0 0 61 55 1 6 0 0 62 56 1 1 0 0 63 57 1 6 0 0 49 20 1 1 0 0 22 55 1 0 0 0 0 M END > LMPK12111815 > Kaempferol 3-(2'''-(E)-p-coumarylsophoroside)-7-glucoside > > C42H46O23 > 918.24 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > CSGSYHAZGDVQGA-JWXMEOFQSA-N > InChI=1S/C42H46O23/c43-13-23-28(50)32(54)35(57)40(60-23)58-20-11-21(48)27-22(12-20)59-36(17-4-8-19(47)9-5-17)37(31(27)53)64-42-39(34(56)30(52)25(15-45)62-42)65-41-38(33(55)29(51)24(14-44)61-41)63-26(49)10-3-16-1-6-18(46)7-2-16/h1-12,23-25,28-30,32-35,38-48,50-52,54-57H,13-15H2/b10-3+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,38-,39-,40-,41+,42+/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](OC(/C=C/C5C=CC(O)=CC=5)=O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 163190103 > - > - > - > - > - > 33090 > - $$$$