LMPK12010433 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 8.5814 13.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4719 14.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4719 15.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5814 15.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6909 15.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6909 14.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5814 12.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4719 12.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3622 12.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3622 13.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2528 14.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2528 15.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3622 15.7967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8273 15.7811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4719 11.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6469 10.7631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3179 10.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0609 15.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9145 15.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7681 15.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7681 16.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9145 17.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0609 16.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9145 17.9647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5170 17.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0930 13.7692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3247 9.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3487 9.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3487 8.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4622 9.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5387 9.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5387 8.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0572 14.2806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4821 12.8350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9418 10.8834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5361 12.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8078 9.7888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8049 13.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7869 13.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5002 12.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2300 11.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2479 11.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9777 10.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 2 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 3 1 0 0 0 0 5 14 1 0 0 0 0 8 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 12 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 22 24 1 0 0 0 0 21 25 1 0 0 0 0 11 26 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 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 1 0 0 38 26 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 31 37 1 0 0 0 0 M CHG 1 13 1 M END > LMPK12010433 > 5-Carboxypyranocyanidin 3-O-(6''-O-malonyl-beta-glucopyranoside) > 2-(3,4-Dihydroxyphenyl)-3-[6-O-(3-hydroxy-1,3-dioxopropyl)-beta-D-glucopyranosyloxy]-7-hydroxy-10-carboxy-5,4-(epoxyetheno)-1-benzopyrylium > C27H23O16 > 603.10 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > QYGZGEVHEDPHDA-VFTFQOQOSA-O > InChI=1S/C27H22O16/c28-10-4-14-20-11(6-16(40-14)26(37)38)25(24(41-15(20)5-10)9-1-2-12(29)13(30)3-9)43-27-23(36)22(35)21(34)17(42-27)8-39-19(33)7-18(31)32/h1-6,17,21-23,27,34-36H,7-8H2,(H4-,28,29,30,31,32,37,38)/p+1/t17-,21-,22+,23-,27+/m1/s1 > C12OC(C(O)=O)=CC3=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(=O)O)O4)C(C4C=C(O)C(O)=CC=4)=[O+]C(=CC(O)=C1)C=23 > - > - > - > - > - > - > 44257033 > - > - > - > - > - > 33090; 4679 > - $$$$