LMPK12010243 LIPID_MAPS_STRUCTURE_DATABASE 39 42 0 0 0 999 V2000 7.4415 12.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4415 11.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3426 10.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2434 11.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2434 12.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3426 12.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1445 10.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0457 11.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0457 12.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1445 12.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9462 12.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8646 12.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7828 12.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7828 13.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8646 14.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9462 13.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5408 12.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4464 14.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3426 9.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8175 10.5990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0964 7.4242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0264 6.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0265 5.8117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9337 7.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8859 6.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8646 15.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8859 5.6694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5811 15.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2981 9.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9468 7.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1182 6.7777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7257 9.3164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6360 7.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6435 9.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3838 9.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2064 8.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2922 7.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5519 8.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6377 8.0380 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 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 15 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 33 39 1 0 0 0 38 32 1 0 0 0 32 34 1 0 0 0 34 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 1 0 0 34 20 1 1 0 0 35 29 1 6 0 0 36 30 1 1 0 0 37 31 1 6 0 0 25 33 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010243 > Peonidin 3-(6''-malonylglucoside) > 3-[[6-O-(1,3-Dioxo-3-hydroxypropyl)-beta-D-glucopyranosyl]oxy]-3'-methoxy-4',5,7-trihydroxyflavylium > C25H25O14 > 549.12 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > CKJPGRXYFVEMFF-WVXUANQFSA-O > InChI=1S/C25H24O14/c1-35-16-4-10(2-3-13(16)27)24-17(7-12-14(28)5-11(26)6-15(12)37-24)38-25-23(34)22(33)21(32)18(39-25)9-36-20(31)8-19(29)30/h2-7,18,21-23,25,32-34H,8-9H2,1H3,(H3-,26,27,28,29,30)/p+1/t18-,21-,22+,23-,25-/m1/s1 > C1(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](COC(=O)CC(=O)O)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 14311169 > - > - > - > - > - > 33090; 106335 > - $$$$