LMPK12010258 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 0 0 0 0 0999 V2000 8.3653 14.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2776 14.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2776 15.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3653 16.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4528 15.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4528 14.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1901 14.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1024 14.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1024 15.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1901 16.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9716 16.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8438 15.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7161 16.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7161 17.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8438 17.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9716 17.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5399 17.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7065 16.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3653 13.5265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0107 14.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8438 18.7316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6533 19.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6518 15.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4529 14.4696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6098 12.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9912 12.7715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9309 11.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9097 13.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7302 14.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6325 13.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7108 12.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8903 12.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9686 11.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0293 13.8861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9518 13.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4506 11.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8224 11.2566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5690 12.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2788 12.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2420 12.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4914 11.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7816 10.9938 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 2 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 3 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 5 18 1 0 0 0 0 1 19 1 0 0 0 0 8 20 1 0 0 0 0 15 21 1 0 0 0 0 21 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 28 20 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 38 25 1 1 0 0 39 34 1 6 0 0 40 35 1 1 0 0 41 36 1 1 0 0 M CHG 1 10 1 M END > LMPK12010258 > Peonidin 3-(4'-arabinosylglucoside) > 3,4?,5,7-Tetrahydroxy-3?-methoxyflavylium-3-O-beta-L-arabinopyranosyl-O-beta-D-glucopyranoside > C27H31O15 > 595.17 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > Peonidin-3-O-beta-L-arabinopyranosyl-O-beta-D-glucopyranoside > FTIVSPBWRBIYQF-NKXZYTEESA-O > InChI=1S/C27H30O15/c1-37-17-4-10(2-3-13(17)30)24-18(7-12-14(31)5-11(29)6-16(12)39-24)40-27-23(36)21(34)25(19(8-28)41-27)42-26-22(35)20(33)15(32)9-38-26/h2-7,15,19-23,25-28,32-36H,8-9H2,1H3,(H2-,29,30,31)/p+1/t15-,19+,20-,21+,22+,23+,25+,26-,27+/m0/s1 > C1(O)=CC(O)=CC2[O+]=C(C3C=C(OC)C(O)=CC=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)CO4)[C@@H](CO)O3)=CC1=2 > - > - > - > - > - > - > 101429611 > - > - > - > - > - > 33090; 693375 > - $$$$