LMPK12010288 LIPID_MAPS_STRUCTURE_DATABASE 54 59 0 0 0 999 V2000 9.1969 11.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1969 10.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1083 9.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0200 10.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0200 11.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1083 12.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9316 9.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8432 10.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8432 11.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9316 12.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7545 12.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6835 11.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6126 12.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6126 13.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6835 13.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7545 13.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6835 14.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2854 12.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5415 13.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1083 8.9358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5415 11.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9527 9.9420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0024 7.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1016 7.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 9.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7605 9.8938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4663 10.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1601 9.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6071 8.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6545 8.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2593 9.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8122 9.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4170 10.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4840 11.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2143 10.2127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3780 8.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8686 8.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 6.7385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7839 9.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5657 10.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4325 9.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5142 8.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7324 8.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8143 7.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1714 5.0142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2682 4.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1888 6.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4967 7.4480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0411 6.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6316 5.7988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6776 5.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1380 6.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5475 7.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0078 8.1549 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 27 33 1 0 0 0 32 26 1 0 0 0 26 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 28 20 1 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 31 25 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 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 53 48 1 0 0 0 48 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 6 0 0 49 38 1 1 0 0 50 45 1 6 0 0 51 46 1 6 0 0 52 47 1 1 0 0 39 22 1 1 0 0 M CHG 1 10 1 M END > LMPK12010288 > Delphinidin 3-rutinoside-5-glucoside > 3-(6-O-alpha-L-Rhamnopyranosyl-beta-D-glucopyranosyloxy)-5-(beta-D-glucopyranosyloxy)-3',4',5',7-tetrahydroxyflavylium > C33H41O21 > 773.21 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > BMDKCVRDDZIEMR-GNQVHQKOSA-O > InChI=1S/C33H40O21/c1-9-20(38)24(42)27(45)31(49-9)48-8-19-23(41)26(44)29(47)33(54-19)52-17-6-12-15(50-30(17)10-2-13(36)21(39)14(37)3-10)4-11(35)5-16(12)51-32-28(46)25(43)22(40)18(7-34)53-32/h2-6,9,18-20,22-29,31-34,38,40-47H,7-8H2,1H3,(H3-,35,36,37,39)/p+1/t9-,18+,19+,20-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/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](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1 > - > - > - > - > - > - > 100979962 > - > - > - > - > - > 33090; 4107 > - $$$$