LMPK12010100 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 7.4701 12.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4701 11.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3322 11.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1947 11.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1947 12.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3322 13.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0568 11.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9192 11.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9192 12.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0568 13.3403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7814 13.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6602 12.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5391 13.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5391 14.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6602 14.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7814 14.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6078 13.3402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4178 14.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3322 10.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5643 10.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6602 15.8769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9871 8.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5606 7.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0446 8.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6002 7.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5654 7.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9748 8.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4191 9.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4541 9.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1203 6.6290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9387 8.3838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8280 9.9701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3818 8.9437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2435 7.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2925 7.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0170 10.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0585 8.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9975 9.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4063 9.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8345 8.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8593 8.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4504 9.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4749 9.3152 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 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 15 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 28 32 1 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 20 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 1 0 0 33 22 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010100 > Cyanidin 3-(2''-galloylgalactoside) > 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(2-O-galloyl-beta-D-galactopyranosyl)oxy]-1-benzopyrylium > C28H25O15 > 601.12 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > WUJWGTHCPFBYPP-WZGYZDFVSA-O > InChI=1S/C28H24O15/c29-9-21-23(37)24(38)26(43-27(39)11-4-17(34)22(36)18(35)5-11)28(42-21)41-20-8-13-15(32)6-12(30)7-19(13)40-25(20)10-1-2-14(31)16(33)3-10/h1-8,21,23-24,26,28-29,37-38H,9H2,(H6-,30,31,32,33,34,35,36,39)/p+1/t21-,23+,24+,26-,28-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(O)=CC=3)C(O[C@H]3[C@H](OC(C4C=C(O)C(O)=C(O)C=4)=O)[C@@H](O)[C@@H](O)[C@@H](CO)O3)=CC=2C(O)=C1 > - > - > 85143 > - > - > - > 21576546 > - > - > - > - > - > 33090; 85961 > - $$$$