LMPK12010092 LIPID_MAPS_STRUCTURE_DATABASE 41 45 0 0 0 999 V2000 7.1957 1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1957 0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0187 0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0187 2.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6649 0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4881 0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4881 1.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6649 2.1938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3107 2.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1496 1.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9885 2.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9885 3.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1496 3.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3107 3.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8271 3.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3729 2.1937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0187 -0.6570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6604 -0.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4261 -1.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4115 -3.4957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6340 -4.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7628 -1.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6545 -1.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5373 -1.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5287 -2.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6398 -3.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7571 -2.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8682 -3.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6572 -2.6255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7714 -3.2967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2523 -2.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3135 -0.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7466 -0.5306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0784 -0.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8977 -1.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9520 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1926 -1.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3733 -0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6138 -0.0318 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 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 29 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 6 0 0 25 20 1 1 0 0 26 21 1 6 0 0 27 22 1 6 0 0 28 23 1 1 0 0 35 41 1 0 0 0 40 34 1 0 0 0 34 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 1 0 0 36 19 1 1 0 0 37 31 1 6 0 0 38 32 1 1 0 0 39 33 1 6 0 0 M CHG 1 10 1 M END > LMPK12010092 > Pelargonidin 3-rhamnoside-5-glucoside > 3,5,7,4'-Tetrahydroxyflavylium 3-rhamnoside-5-glucoside > C27H31O14 > 579.17 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > MIRNSFCHJINZJP-GWMUBCIESA-O > InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(37-10)40-17-8-14-15(38-25(17)11-2-4-12(29)5-3-11)6-13(30)7-16(14)39-27-24(36)22(34)20(32)18(9-28)41-27/h2-8,10,18-24,26-28,31-36H,9H2,1H3,(H-,29,30)/p+1/t10-,18+,19-,20+,21+,22-,23+,24+,26-,27+/m0/s1 > C1(O)=CC2[O+]=C(C3C=CC(O)=CC=3)C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1 > - > - > - > - > - > - > 101422352 > - > - > - > - > - > 33090; 3859 > - $$$$