LMPK12010375 LIPID_MAPS_STRUCTURE_DATABASE 46 50 0 0 0 999 V2000 7.5140 9.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5391 8.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4278 8.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 8.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2664 9.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3777 10.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1804 8.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0442 8.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0191 9.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1300 10.4404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8823 10.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7883 9.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6684 10.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6429 11.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7370 12.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8568 11.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6254 10.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5191 12.0652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4532 7.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7758 8.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5446 10.0223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7370 13.0646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4881 13.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4883 10.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7453 8.2013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7180 6.4884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7212 4.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7637 6.5093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2621 7.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2468 7.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7334 6.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2349 5.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2502 5.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7518 4.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7711 4.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7742 3.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8045 3.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8360 4.7533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2996 5.5914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8630 6.2826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 4.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2900 3.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3027 3.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8186 4.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3170 5.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8328 6.4519 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 13 21 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 21 24 1 0 0 0 0 33 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 0 0 0 33 34 1 1 0 0 29 20 1 1 0 0 30 25 1 6 0 0 31 26 1 1 0 0 32 27 1 6 0 0 34 35 1 0 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 35 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 > LMPK12010375 > Malvidin 3-gentiobioside > 3,5,7,4'-Tetrahydroxy-3',5'-dimethoxyflavylium 3-glucosyl-(1->6)-glucoside > C29H35O17 > 655.19 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > MOXAYEOWSOYLFR-BTXJZROQSA-O > InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(7-12-13(32)5-11(31)6-14(12)43-27)44-29-26(39)24(37)22(35)19(46-29)9-42-28-25(38)23(36)21(34)18(8-30)45-28/h3-7,18-19,21-26,28-30,34-39H,8-9H2,1-2H3,(H2-,31,32,33)/p+1/t18-,19-,21-,22-,23+,24+,25-,26-,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](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 44256980 > - > - > - > - > - > 33090; 49647 > - $$$$