LMPK12010213 LIPID_MAPS_STRUCTURE_DATABASE 55 60 0 0 0 999 V2000 10.9472 14.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9472 13.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8331 12.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7193 13.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7193 14.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8331 14.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6056 12.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4917 13.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4917 14.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6056 14.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4548 14.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3409 14.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2270 14.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2270 15.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3409 16.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4548 15.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0210 16.1812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2906 12.6591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2278 14.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8331 11.9112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0457 14.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8763 9.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6320 10.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1430 11.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6101 10.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0994 9.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0774 9.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5658 10.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5425 10.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0309 9.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5425 8.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5658 8.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0092 9.2823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0318 11.0535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0693 11.8144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2270 9.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6081 8.7377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5588 11.1184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3705 11.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2598 11.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3376 10.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5282 9.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6389 10.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8294 9.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3457 13.3138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2827 12.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9394 11.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3682 10.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6473 9.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0358 11.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6740 12.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6447 12.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9728 11.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3347 10.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6629 9.6066 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 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 13 21 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 29 34 1 0 0 0 0 22 23 1 0 0 0 0 43 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 0 0 0 42 43 1 0 0 0 43 44 1 1 0 0 39 18 1 1 0 0 40 35 1 6 0 0 41 36 1 1 0 0 42 37 1 6 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 35 1 1 0 0 51 45 1 6 0 0 52 46 1 1 0 0 53 47 1 6 0 0 44 22 1 0 0 0 M CHG 1 10 1 M END > LMPK12010213 > Cyanidin 3-(2-glucosyl-6-caffeoylglucoside) > 3',4',5,7-Tetrahydroxy-3-[[6-O-(3,4-dihydroxycinnamoyl)-2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl]oxy]anthocyanidin > C36H37O19 > 773.19 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > CNLSZKFMPHWNAM-GBRVJCKXSA-O > InChI=1S/C36H36O19/c37-12-25-28(45)30(47)32(49)35(53-25)55-34-31(48)29(46)26(13-50-27(44)6-2-14-1-4-18(39)21(42)7-14)54-36(34)52-24-11-17-20(41)9-16(38)10-23(17)51-33(24)15-3-5-19(40)22(43)8-15/h1-11,25-26,28-32,34-37,45-49H,12-13H2,(H5-,38,39,40,41,42,43,44)/p+1/t25-,26-,28-,29-,30+,31+,32-,34-,35+,36-/m1/s1 > C1(O)=CC2[O+]=C(C3C=CC(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](COC(/C=C/C4C=CC(O)=C(O)C=4)=O)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 44256818 > - > - > - > - > - > 33090; 4121 > - $$$$