LMPK12010115 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 7.6274 12.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6274 11.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5314 10.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4353 11.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4353 12.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5314 12.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3394 10.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2434 11.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2434 12.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3394 12.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1471 12.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0683 12.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9896 12.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9896 13.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0683 14.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1471 13.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9108 14.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7237 12.8689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5314 9.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1801 10.6046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0683 15.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1260 6.5753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9728 9.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1364 7.9989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5998 6.9257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5825 9.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3532 9.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2043 9.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2852 8.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5168 7.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6656 8.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8972 7.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1905 11.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0384 10.9616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6648 9.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2119 8.8158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3862 7.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8949 9.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5037 10.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4297 10.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7427 9.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1340 8.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4471 7.7645 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 31 26 1 0 0 0 26 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 23 1 6 0 0 29 24 1 1 0 0 30 25 1 6 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 23 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 22 32 1 0 0 0 27 20 1 1 0 0 M CHG 1 10 1 M END > LMPK12010115 > Cyanidin 3-sophoroside > 2-(3,4-Dihydroxyphenyl)-3-[[2-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-1-benzopyrylium > C27H31O16 > 611.16 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > SXYMMDGPXYVCER-WGNLCONDSA-O > InChI=1S/C27H30O16/c28-7-17-19(34)21(36)23(38)26(41-17)43-25-22(37)20(35)18(8-29)42-27(25)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/p+1/t17-,18-,19-,20-,21+,22+,23-,25-,26+,27-/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)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2C(O)=C1 > C16306 > - > 80438 > - > - > - > 11169452 > - > - > - > - > - > 33090; 3859 > - $$$$