LMPK12010287 LIPID_MAPS_STRUCTURE_DATABASE 55 60 0 0 0 999 V2000 9.2734 12.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2734 11.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1979 10.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1224 11.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1224 12.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1979 12.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0471 10.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9716 11.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9716 12.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0471 12.8824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8958 12.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8382 12.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7804 12.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7804 13.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8382 14.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8958 13.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8382 15.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3492 12.8822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7225 14.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1979 9.6802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7225 12.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0686 10.6226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0875 6.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8787 9.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0391 8.1119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5325 7.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5351 9.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2907 9.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1253 9.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2046 8.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4511 7.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6166 8.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8632 7.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0727 11.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8844 11.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4987 9.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0936 8.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2255 7.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7828 9.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3797 10.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2876 10.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5946 9.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9977 8.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3048 7.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5246 7.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0142 6.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1823 7.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5241 9.3972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2247 8.3657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4453 9.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6087 8.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8508 7.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9350 7.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7716 8.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8557 9.1151 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 15 17 1 0 0 0 0 1 18 1 0 0 0 0 14 19 1 0 0 0 0 3 20 1 0 0 0 0 13 21 1 0 0 0 0 22 8 1 0 0 0 0 32 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 0 0 0 32 33 1 1 0 0 29 24 1 6 0 0 30 25 1 1 0 0 31 26 1 6 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 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 0 0 0 43 44 1 1 0 0 39 24 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 23 33 1 0 0 0 28 22 1 1 0 0 49 55 1 0 0 0 54 48 1 0 0 0 48 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 20 1 1 0 0 51 45 1 6 0 0 52 46 1 1 0 0 53 47 1 6 0 0 M CHG 1 10 1 M END > LMPK12010287 > Delphinidin 3-sophoroside-5-glucoside > 3,5,7,3',4',5'-Hexahydroxyflavylium 3-glucosyl-(1->2)-glucoside-5-glucoside > C33H41O22 > 789.21 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > JKIDZSBNUJBLGC-HAXOOBDZSA-O > InChI=1S/C33H40O22/c34-6-17-21(41)24(44)27(47)31(52-17)50-15-4-10(37)3-14-11(15)5-16(29(49-14)9-1-12(38)20(40)13(39)2-9)51-33-30(26(46)23(43)19(8-36)54-33)55-32-28(48)25(45)22(42)18(7-35)53-32/h1-5,17-19,21-28,30-36,41-48H,6-8H2,(H3-,37,38,39,40)/p+1/t17-,18-,19-,21-,22-,23-,24+,25+,26+,27-,28-,30-,31-,32+,33-/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]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1 > - > - > - > - > - > - > 178335861 > - > - > - > - > - > 33090; 3888 > - $$$$