LMPK12010098 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 9.9928 10.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9928 9.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8649 8.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7372 9.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7372 10.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8649 10.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6093 8.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4815 9.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4815 10.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6093 10.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3534 10.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2425 10.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1312 10.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1312 11.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2425 12.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3534 11.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0200 12.4368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1210 10.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8649 7.8766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3854 8.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2425 13.4631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8510 5.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1421 4.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4523 5.9356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1629 7.8886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7128 7.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0131 7.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0062 6.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1489 5.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3112 7.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4663 7.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0939 9.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7889 8.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7726 6.7275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2261 7.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9865 5.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2315 8.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0857 8.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9347 8.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9265 7.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0722 6.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0641 5.7570 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 27 19 1 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 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 20 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 1 0 0 M CHG 1 10 1 M END > LMPK12010098 > > Cyanidin 3-galactoside-5-glucoside > C27H31O16 > 611.16 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > RDFLLVCQYHQOBU-HGHVJJQGSA-O > InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20+,21+,22+,23-,24-,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](O)[C@@H](O)[C@@H](CO)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1 > - > - > - > - > - > - > 10196914 > - > - > - > - > - > 33090; 118357 > - $$$$