LMPK12010426 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 7.3551 10.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3551 9.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2501 9.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1453 9.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1453 10.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2501 11.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0403 9.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9353 9.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9353 10.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0403 11.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8300 11.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7424 10.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6545 11.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6545 12.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7424 12.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8300 12.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4605 11.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5664 12.7219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2501 8.0421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8818 9.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7424 13.7752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4605 9.0755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3945 10.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1353 9.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3001 7.5017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7755 7.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8979 5.9156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6903 8.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4767 9.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3488 8.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4310 7.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6445 7.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7267 6.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0740 4.1809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1593 4.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0734 5.6059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3952 6.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9430 5.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5310 4.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5712 4.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0283 5.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4403 6.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8972 7.3406 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 2 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 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 6 0 0 42 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 41 42 1 0 0 0 42 43 1 6 0 0 38 27 1 1 0 0 39 34 1 6 0 0 40 35 1 6 0 0 41 36 1 1 0 0 28 20 1 1 0 0 M CHG 1 10 1 M END > LMPK12010426 > 6-Hydroxycyanidin 3-rutinoside > 3',4',5,6,7-Pentahydroxy-3-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]flavylium > C27H31O16 > 611.16 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > TZAVOGUPJPOVFA-DFGKSTMQSA-O > InChI=1S/C27H30O16/c1-8-17(31)21(35)23(37)26(40-8)39-7-16-20(34)22(36)24(38)27(43-16)42-15-5-10-14(6-13(30)19(33)18(10)32)41-25(15)9-2-3-11(28)12(29)4-9/h2-6,8,16-17,20-24,26-27,31,34-38H,7H2,1H3,(H4-,28,29,30,32,33)/p+1/t8-,16+,17-,20+,21+,22-,23+,24+,26+,27+/m0/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(O)=CC=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)=CC=2C(O)=C1O > - > - > - > - > - > - > 23245101 > - > - > - > - > - > 33090; 56741 > - $$$$