LMPK12010096 LIPID_MAPS_STRUCTURE_DATABASE 41 45 0 0 0 999 V2000 7.5663 11.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5663 10.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4355 10.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3047 10.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3047 11.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4355 12.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1741 10.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0436 10.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0436 11.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1741 12.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9125 12.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7985 11.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6845 12.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6845 13.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7985 13.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9125 13.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5702 13.9870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6974 12.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4355 9.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7201 10.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7985 15.0099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2089 9.1099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8631 7.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9955 6.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5754 9.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4757 6.7563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5126 9.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2753 8.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1004 7.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1668 7.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4042 8.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4704 7.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0193 9.9385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6422 8.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4525 6.8073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9267 7.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0192 8.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9245 8.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7372 8.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6422 7.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7373 6.9674 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 8 20 1 0 0 0 0 15 21 1 0 0 0 0 26 32 1 0 0 0 31 25 1 0 0 0 25 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 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 1 0 0 41 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 0 0 0 37 22 1 1 0 0 38 33 1 6 0 0 39 34 1 1 0 0 40 35 1 6 0 0 27 20 1 1 0 0 M CHG 1 10 1 M END > LMPK12010096 > Cyanidin 3-lathyroside > 2-(3,4-Dihydroxyphenyl)-3-(2-O-beta-L-xylopyranosyl-beta-D-galactopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium > C26H29O15 > 581.15 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > ZPPQIOUITZSYAO-MNOAYJSQSA-O > InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20+,21+,22-,24-,25+,26-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(O)=CC=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)=C1 > - > - > 71587 > - > - > - > 10312147 > - > - > - > - > - > 33090; 4039 > - $$$$