LMPK12010085 LIPID_MAPS_STRUCTURE_DATABASE 62 68 0 0 0 999 V2000 18.9685 10.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9685 9.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8572 9.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7458 9.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7458 10.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8572 11.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6346 9.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5234 9.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5234 10.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6346 11.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4894 11.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3781 10.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2669 11.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2669 12.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3781 13.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4894 12.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0632 12.9522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2470 11.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8572 8.4204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3321 9.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0394 12.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5269 13.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0394 14.0424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4632 13.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9500 14.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9238 14.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4107 13.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9238 12.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9500 12.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3859 13.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5442 11.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9168 10.0985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1364 10.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 13.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2783 12.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5749 12.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6540 11.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 11.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9474 11.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8683 12.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9781 12.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5919 7.8921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9026 6.0393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9575 5.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0128 8.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5246 6.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9895 8.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6193 7.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2727 6.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3002 6.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6703 7.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6979 7.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2329 9.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5139 8.3723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8143 9.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5349 11.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3901 10.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3831 9.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5209 9.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6711 9.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6781 10.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8282 11.3491 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 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 27 30 1 0 0 0 0 24 22 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 30 1 1 0 0 37 31 1 6 0 0 38 32 1 1 0 0 39 33 1 6 0 0 46 52 1 0 0 0 51 45 1 0 0 0 45 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 1 0 0 47 20 1 1 0 0 48 42 1 6 0 0 49 43 1 1 0 0 50 44 1 6 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 18 1 1 0 0 58 53 1 6 0 0 59 54 1 1 0 0 60 55 1 6 0 0 21 62 1 0 0 0 M CHG 1 10 1 M END > LMPK12010085 > Pelargonidin 3-glucoside-7-(6-(4-(glucosyl)-p-hydroxybenzoyl)glucoside) > 3,5,7,4'-Tetrahydroxyflavylium 3-glucoside-7-(6-(4-(glucosyl)-p-hydroxybenzoyl)glucoside) > C40H45O22 > 877.24 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > LQFOAAUHSVQTNW-WCEUWYDISA-O > InChI=1S/C40H44O22/c41-12-24-27(45)30(48)33(51)38(60-24)56-18-7-3-16(4-8-18)37(54)55-14-26-29(47)32(50)34(52)39(62-26)57-19-9-21(44)20-11-23(59-40-35(53)31(49)28(46)25(13-42)61-40)36(58-22(20)10-19)15-1-5-17(43)6-2-15/h1-11,24-35,38-42,45-53H,12-14H2,(H-,43,44)/p+1/t24-,25-,26-,27-,28-,29-,30+,31+,32+,33-,34-,35-,38-,39-,40-/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)=O)O2)=CC2[O+]=C(C3C=CC(O)=CC=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 100914224 > - > - > - > - > - > 33090; 46246 > - $$$$