LMPK12112084 LIPID_MAPS_STRUCTURE_DATABASE 64 70 0 0 0 999 V2000 10.2694 12.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2694 11.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1697 11.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0702 11.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0702 12.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1697 13.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9704 11.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8708 11.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8708 12.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9704 13.2506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9704 10.3609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0043 13.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9218 12.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8395 13.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8395 14.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9218 15.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0043 14.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1697 10.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8215 15.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4350 13.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9218 16.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7581 8.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3412 7.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2769 9.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2766 9.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7765 9.9014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8345 9.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3636 10.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8346 11.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7766 11.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2476 10.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3625 12.6484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4208 11.4640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6802 10.4755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9592 11.4884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7014 13.4776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5674 12.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5603 11.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6872 11.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8268 11.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8339 12.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9733 13.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6584 8.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2938 7.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9448 6.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5802 6.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5696 6.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9185 7.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2780 7.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9605 6.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2313 5.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2051 5.4822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8411 7.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1007 8.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0674 8.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3269 9.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6185 10.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6518 10.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9029 7.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3937 9.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7742 8.2233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2935 10.1515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8781 11.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9430 11.0755 0.0000 O 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 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 16 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 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 20 1 1 0 0 38 33 1 6 0 0 39 34 1 6 0 0 40 35 1 1 0 0 64 8 1 0 0 0 0 58 64 1 1 0 0 45 50 1 1 0 0 46 51 1 6 0 0 47 52 1 6 0 0 48 59 1 1 0 0 44 43 1 6 0 0 45 44 1 0 0 0 46 45 1 0 0 0 47 46 1 0 0 0 48 47 1 0 0 0 49 48 1 0 0 0 44 49 1 0 0 0 55 61 1 1 0 0 56 62 1 1 0 0 57 63 1 6 0 0 54 53 1 1 0 0 55 54 1 0 0 0 56 55 1 0 0 0 57 56 1 0 0 0 58 57 1 0 0 0 60 58 1 0 0 0 54 60 1 0 0 0 59 53 1 0 0 0 61 22 1 0 0 0 0 M END > LMPK12112084 > Quercetin 3-(4''-(E)-p-coumarylrobinobioside)-7-rhamnoside > > C42H46O22 > 902.25 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > JQZWRFVZKRBLGP-SXBZMVAHSA-N > InChI=1S/C42H46O22/c1-15-28(48)31(51)34(54)40(58-15)57-14-25-38(63-26(47)10-5-17-3-7-19(43)8-4-17)33(53)36(56)42(62-25)64-39-30(50)27-23(46)12-20(60-41-35(55)32(52)29(49)16(2)59-41)13-24(27)61-37(39)18-6-9-21(44)22(45)11-18/h3-13,15-16,25,28-29,31-36,38,40-46,48-49,51-56H,14H2,1-2H3/b10-5+/t15-,16-,25+,28-,29-,31+,32+,33+,34+,35+,36+,38-,40+,41-,42-/m0/s1 > C1(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O)OC(/C=C/C3C=CC(O)=CC=3)=O)CO[C@@H]3O[C@H]([C@@H]([C@H]([C@H]3O)O)O)C)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 21676313 > - > - > - > - > - > 33090 > - $$$$