LMPK12010135 LIPID_MAPS_STRUCTURE_DATABASE 38 41 0 0 0 999 V2000 7.5324 10.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5324 9.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3960 9.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2598 9.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2598 10.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3960 11.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1234 9.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9872 9.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9872 10.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1234 11.4913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8506 11.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7308 10.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6112 11.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6112 12.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7308 13.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8506 12.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6690 11.4911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4912 13.0158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3960 8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7787 9.4791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7308 14.0323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3425 7.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3425 6.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5677 5.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2672 5.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0316 6.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0316 7.3556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6463 10.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1561 8.8586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7965 6.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3546 7.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5326 8.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4664 9.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2225 8.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0424 7.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1086 7.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9287 6.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0289 5.8344 0.0000 O 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 15 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 36 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 1 0 0 32 20 1 1 0 0 33 28 1 6 0 0 34 29 1 1 0 0 35 30 1 6 0 0 37 38 1 0 0 0 26 38 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010135 > Cyanidin 3-(6''-malonylglucoside) > 3',4',5,7-Tetrahydroxy-3-[[6-O-(3-hydroxy-1,3-dioxopropyl)-beta-D-glucopyranosyl]oxy]flavylium > C24H23O14 > 535.11 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > Cyanidin-3-O-(6-O-malonyl-beta-D-glucopyranoside) > ROQLTZUOXIQBDO-JZWLZXDTSA-O > InChI=1S/C24H22O14/c25-10-4-13(27)11-6-16(23(36-15(11)5-10)9-1-2-12(26)14(28)3-9)37-24-22(34)21(33)20(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,20-22,24,32-34H,7-8H2,(H4-,25,26,27,28,29,30)/p+1/t17-,20-,21+,22-,24-/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](COC(=O)CC(=O)O)O3)=CC=2C(O)=C1 > C12643 > - > 31442 > - > - > - > 443915 > - > - > - > - > - > 33090; 13427 > - $$$$