LMPK12010399 LIPID_MAPS_STRUCTURE_DATABASE 62 67 0 0 0 999 V2000 13.5285 13.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4302 14.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4302 15.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5285 15.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6269 15.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6269 14.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3317 13.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2335 14.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2335 15.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3317 15.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0925 15.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9544 15.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8163 15.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8163 16.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9544 17.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0925 16.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7115 17.0973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8892 15.5151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5285 12.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2327 13.5022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9763 17.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6847 18.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7555 15.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5988 15.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6696 11.0416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8591 11.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8591 12.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1127 11.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4545 11.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8442 11.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4545 12.2849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2716 13.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9669 11.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6240 9.6011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9082 11.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1017 9.0772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5808 12.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6001 12.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9474 11.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2760 10.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2566 10.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5851 9.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9645 7.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7632 5.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7042 5.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4689 8.3298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5037 8.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9350 7.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3317 6.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3023 6.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8709 7.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8414 7.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0508 10.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5743 9.3832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5808 9.9351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7906 12.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7929 12.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0540 11.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3130 10.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3164 10.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0552 11.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0585 11.9414 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 2 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 3 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 14 17 1 0 0 0 0 5 18 1 0 0 0 0 1 19 1 0 0 0 0 8 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 36 42 1 0 0 0 41 35 1 0 0 0 35 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 0 0 0 41 42 1 1 0 0 37 20 1 1 0 0 38 32 1 6 0 0 39 33 1 1 0 0 40 34 1 6 0 0 51 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 6 0 0 47 36 1 1 0 0 48 43 1 6 0 0 49 44 1 6 0 0 50 45 1 1 0 0 61 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 1 0 0 57 19 1 1 0 0 58 53 1 6 0 0 59 54 1 1 0 0 60 55 1 6 0 0 25 62 1 0 0 0 M CHG 1 10 1 M END > LMPK12010399 > Malvidin 3-O-(6-O-(4-O-alpha-rhamnopyranosyl-beta-glucopyranoside)-5-O-(6-O-malonyl-beta-glucopyranoside) > 2-(4-Hydroxy-3,5-dimethoxyphenyl)-3-[(6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)oxy]-5-[[6-O-(carboxyacetyl)-beta-D-glucopyranosyl]oxy]-7-hydroxy-1-benzopyrylium > C38H47O24 > 887.25 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > NQHOVUXXRSORBV-AASSCGIYSA-O > InChI=1S/C38H46O24/c1-12-25(43)29(47)32(50)36(57-12)56-11-22-28(46)31(49)34(52)38(62-22)60-20-8-15-16(58-35(20)13-4-18(53-2)26(44)19(5-13)54-3)6-14(39)7-17(15)59-37-33(51)30(48)27(45)21(61-37)10-55-24(42)9-23(40)41/h4-8,12,21-22,25,27-34,36-38,43,45-52H,9-11H2,1-3H3,(H2-,39,40,41,44)/p+1/t12-,21+,22+,25-,27+,28+,29+,30-,31-,32+,33+,34+,36+,37+,38+/m0/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(CC(=O)O)=O)O2)=CC(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](C)O4)O3)=CC1=2 > - > - > - > - > - > - > 101740987 > - > - > - > - > - > 33090; 519208 > 15921712 $$$$