LMPK12010302 LIPID_MAPS_STRUCTURE_DATABASE 68 73 0 0 0 999 V2000 11.8695 13.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8695 13.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7069 12.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5443 13.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5443 13.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7069 14.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3817 12.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2190 13.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2190 13.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3817 14.4642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0561 14.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9094 13.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7630 14.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7630 15.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9094 15.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0561 15.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0325 14.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6162 15.9420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7069 11.5637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8454 11.9290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9094 16.9274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6150 13.9721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5210 6.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9430 5.9835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3721 6.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7978 5.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6510 5.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1248 6.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0723 6.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5461 5.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0723 4.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1248 4.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4947 5.7198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4369 12.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6345 12.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4369 13.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6734 14.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0195 13.9094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6734 15.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5446 8.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5897 9.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6831 6.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7767 7.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6831 5.9062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5467 3.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8659 9.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2315 8.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4435 9.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9929 11.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8924 11.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9718 10.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1519 9.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2580 9.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1785 10.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2845 11.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1172 12.2662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5446 7.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8216 11.7419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6478 9.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4982 8.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6834 10.2171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0898 7.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2587 11.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2467 10.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6597 10.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0849 9.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0969 9.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5220 8.5108 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 15 21 1 0 0 0 0 13 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 30 33 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 40 41 2 0 0 0 0 42 43 1 0 0 0 0 42 44 2 0 0 0 0 31 45 1 0 0 0 0 54 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 0 0 0 54 55 1 1 0 0 50 19 1 1 0 0 51 46 1 6 0 0 52 47 1 1 0 0 53 48 1 6 0 0 55 56 1 0 0 0 57 42 1 0 0 0 0 40 57 1 0 0 0 0 48 40 1 0 0 0 0 56 34 1 0 0 0 0 62 68 1 0 0 0 67 61 1 0 0 0 61 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 1 0 0 63 20 1 1 0 0 64 58 1 6 0 0 65 59 1 1 0 0 66 60 1 6 0 0 62 23 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010302 > Salviadelphin > > C42H41O26 > 961.19 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > ISORUJJVGRWMCI-KJEREKKNSA-O > InChI=1S/C42H40O26/c43-17-8-23-18(24(9-17)64-42-38(60)36(58)40(68-32(54)12-29(50)51)27(67-42)14-62-31(53)11-28(48)49)10-25(39(63-23)16-6-21(46)33(55)22(47)7-16)65-41-37(59)35(57)34(56)26(66-41)13-61-30(52)4-2-15-1-3-19(44)20(45)5-15/h1-10,26-27,34-38,40-42,56-60H,11-14H2,(H7-,43,44,45,46,47,48,49,50,51,52,55)/p+1/t26-,27-,34-,35+,36-,37-,38-,40-,41-,42-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(O)=C(O)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C4C=C(O)C(O)=CC=4)=O)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](OC(CC(=O)O)=O)[C@@H](COC(CC(=O)O)=O)O2)=C1 > - > - > - > - > - > - > 90479591 > - > - > - > - > - > 33090; 180675 > - $$$$