LMPK12010373 LIPID_MAPS_STRUCTURE_DATABASE 46 50 0 0 0 999 V2000 7.5224 13.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5224 12.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4073 11.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2924 12.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2924 13.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4073 13.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1772 11.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0622 12.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0622 13.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1772 13.5508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9470 13.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8489 13.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7510 13.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7510 14.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8489 15.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9470 14.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6377 13.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6359 15.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4073 10.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6636 11.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8489 16.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6359 13.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3500 13.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7887 16.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6042 11.1204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2659 9.2612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9879 7.7636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3548 9.7957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5389 7.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9948 10.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9651 10.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2956 9.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6566 8.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6862 8.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0472 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0093 12.5058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9119 11.9814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4057 10.0755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8043 9.9033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9830 8.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5536 10.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2562 11.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2095 11.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4562 10.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7537 9.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0005 8.6902 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 15 21 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 21 24 1 0 0 0 0 29 35 1 0 0 0 34 28 1 0 0 0 28 30 1 0 0 0 30 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 1 0 0 30 20 1 1 0 0 31 25 1 6 0 0 32 26 1 1 0 0 33 27 1 6 0 0 40 46 1 0 0 0 45 39 1 0 0 0 39 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 1 0 0 41 25 1 1 0 0 42 36 1 6 0 0 43 37 1 1 0 0 44 38 1 6 0 0 M CHG 1 10 1 M END > LMPK12010373 > Malvidin 3-diglucoside > 3,5,7,4'-Tetrahydroxy-3',5'-dimethoxyflavylium 3-diglucoside > C29H35O17 > 655.19 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > OHMJOPXOJGZQLD-RPOIPXSASA-O > InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)34)26-17(7-12-13(33)5-11(32)6-14(12)42-26)43-29-27(24(38)22(36)19(9-31)45-29)46-28-25(39)23(37)21(35)18(8-30)44-28/h3-7,18-19,21-25,27-31,35-39H,8-9H2,1-2H3,(H2-,32,33,34)/p+1/t18-,19-,21-,22-,23+,24+,25-,27-,28+,29-/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]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 163189257 > - > - > - > - > - > 33090; 45843 > - $$$$