LMPK12010021 LIPID_MAPS_STRUCTURE_DATABASE 41 45 0 0 0 999 V2000 7.7361 11.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7361 10.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5705 10.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4048 10.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4048 11.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5705 12.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2394 10.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0737 10.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0737 11.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2394 12.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9078 12.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7580 11.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6085 12.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6085 13.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7580 13.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9078 13.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4585 13.6660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9021 12.1933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5705 9.3035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0864 10.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6695 11.3829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5292 10.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7053 8.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0081 8.7501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1389 6.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9171 9.7746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7572 10.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6890 9.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7768 8.9073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9365 8.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0244 7.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2587 4.9280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2131 4.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0530 6.4504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5335 7.5439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1187 6.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6786 5.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6532 5.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0731 6.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5133 7.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9331 8.3038 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 25 31 1 0 0 0 30 24 1 0 0 0 24 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 1 0 0 27 21 1 6 0 0 28 22 1 1 0 0 29 23 1 6 0 0 40 35 1 0 0 0 35 36 1 0 0 0 36 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 6 0 0 36 25 1 1 0 0 37 32 1 6 0 0 38 33 1 6 0 0 39 34 1 1 0 0 26 20 1 1 0 0 M CHG 1 10 1 M END > LMPK12010021 > Pelargonidin 3-rutinoside > 2-(4-Hydroxyphenyl)-3-[(6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-1-benzopyrylium > C27H31O14 > 579.17 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > IFYOHQQBIKDHFT-ASZXTAQUSA-O > InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(38-10)37-9-18-20(32)22(34)24(36)27(41-18)40-17-8-14-15(30)6-13(29)7-16(14)39-25(17)11-2-4-12(28)5-3-11/h2-8,10,18-24,26-27,31-36H,9H2,1H3,(H2-,28,29,30)/p+1/t10-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1 > C1(O)=CC2[O+]=C(C3C=CC(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)=C1 > C12644 > - > 31968 > - > - > - > 443917 > - > - > - > - > - > 33090; 23216 > - $$$$