LMPK12010382 LIPID_MAPS_STRUCTURE_DATABASE 41 44 0 0 0 999 V2000 7.5039 11.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5039 10.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4304 10.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3568 10.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3568 11.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4304 12.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2834 10.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2097 10.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2097 11.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2834 12.4397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1360 12.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0802 11.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0243 12.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0243 13.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0802 14.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1360 13.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5779 12.4395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7055 13.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4304 9.2308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1009 10.2495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7477 5.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5251 4.6120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6949 5.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0892 5.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0802 14.7867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7975 11.9933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8926 5.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8937 4.3806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9220 15.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7266 12.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0499 10.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1603 8.7962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3211 7.0348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2365 8.5611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0619 6.1859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6559 9.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6303 9.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1858 8.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7661 7.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7916 7.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3719 6.8782 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 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 15 25 1 0 0 0 0 13 26 1 0 0 0 0 24 27 1 0 0 0 0 24 28 2 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 35 41 1 0 0 0 40 34 1 0 0 0 34 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 1 0 0 36 20 1 1 0 0 37 31 1 6 0 0 38 32 1 1 0 0 39 33 1 6 0 0 35 21 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010382 > Malvidin 3-(6''-malonylglucoside) > > C26H27O15 > 579.14 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > ORZQHBRJUMAOIF-UUGZZFCKSA-O > InChI=1S/C26H26O15/c1-36-15-3-10(4-16(37-2)21(15)32)25-17(7-12-13(28)5-11(27)6-14(12)39-25)40-26-24(35)23(34)22(33)18(41-26)9-38-20(31)8-19(29)30/h3-7,18,22-24,26,33-35H,8-9H2,1-2H3,(H3-,27,28,29,30,32)/p+1/t18-,22-,23+,24-,26-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(OC)C(O)=C(OC)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(CC(=O)O)=O)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 14311173 > - > - > - > - > - > 33090; 145756 > - $$$$