LMPK12010274 LIPID_MAPS_STRUCTURE_DATABASE 56 61 0 0 0 999 V2000 9.8914 13.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8914 12.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7809 11.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6702 12.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6702 13.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7809 13.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5596 11.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4492 12.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4492 13.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5596 13.6836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4158 13.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3052 13.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1948 13.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1948 14.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3052 15.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4158 14.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9917 15.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5179 11.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1693 13.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7809 10.6801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3052 16.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0227 13.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1323 10.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9457 8.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1475 7.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5238 10.1273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6177 7.7467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4260 10.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2334 9.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1383 8.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2394 8.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4321 9.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5331 8.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2547 8.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 8.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9516 9.6805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1267 11.1358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5798 11.1732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8249 10.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5618 9.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6005 9.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9077 9.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1708 10.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4779 11.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6587 11.6410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5154 10.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8424 9.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2259 9.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0591 10.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8221 10.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7525 10.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9158 9.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1526 8.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7700 11.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8724 11.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8579 12.7280 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 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 15 21 1 0 0 0 0 13 22 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 18 1 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 1 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 20 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 49 23 1 1 0 0 50 45 1 6 0 0 51 46 1 1 0 0 52 47 1 6 0 0 38 54 1 0 0 0 54 55 1 0 0 0 54 56 2 0 0 0 M CHG 1 10 1 M END > LMPK12010274 > Delphinidin 3-(2-xylosylgalactoside)-5-(6-acetylglucoside) > 2-(3,4,5-Trihydroxyphenyl)-3-(2-O-beta-D-xylopyranosyl-beta-D-galactopyranosyloxy)-5-(6-O-acetyl-beta-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium > C34H41O22 > 801.21 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > BPKSCEYQFADAOR-IOIMWOOUSA-O > InChI=1S/C34H40O22/c1-10(36)49-9-21-25(44)26(45)29(48)33(55-21)52-18-5-12(37)4-17-13(18)6-19(30(51-17)11-2-14(38)22(41)15(39)3-11)53-34-31(27(46)24(43)20(7-35)54-34)56-32-28(47)23(42)16(40)8-50-32/h2-6,16,20-21,23-29,31-35,40,42-48H,7-9H2,1H3,(H3-,37,38,39,41)/p+1/t16-,20-,21-,23+,24+,25-,26+,27+,28-,29-,31-,32+,33-,34-/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)CO4)[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](COC(=O)C)O2)=C1 > - > - > - > - > - > - > 101083385 > - > - > - > - > - > 33090; 3887 > 11210118 $$$$