LMPK12010083 LIPID_MAPS_STRUCTURE_DATABASE 72 79 0 0 0 999 V2000 13.7670 17.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7670 15.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6481 15.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5291 15.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5291 17.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6481 17.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4100 15.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2911 15.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2911 17.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4100 17.5214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2487 17.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1298 17.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0108 17.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0108 18.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1298 19.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2487 18.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8002 19.0388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9008 17.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6481 14.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0930 15.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4843 14.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6044 14.7902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4487 13.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5676 12.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5676 11.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4487 11.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3296 11.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3296 12.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4487 10.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4416 8.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4517 8.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4733 10.2027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9621 11.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5006 11.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4559 10.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9525 9.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9550 9.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4660 10.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9695 11.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4803 11.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8849 19.0886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8949 19.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9043 17.3679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3871 16.5036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8871 17.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3896 18.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 18.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8971 17.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3944 16.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8991 15.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3175 14.7429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7850 14.5438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7849 12.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0644 11.5632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2001 14.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5193 11.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0632 14.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9246 14.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9233 13.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0631 12.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2015 13.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3412 12.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9907 9.6613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0648 9.1600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6727 10.5755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8576 12.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5589 11.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2946 10.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3289 10.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6330 10.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8974 11.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2012 12.4937 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 2 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 26 29 1 0 0 0 0 23 21 1 0 0 0 0 34 40 1 0 0 0 39 33 1 0 0 0 33 35 1 0 0 0 35 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 1 0 0 35 29 1 1 0 0 36 30 1 6 0 0 37 31 1 1 0 0 38 32 1 6 0 0 49 44 1 0 0 0 44 45 1 0 0 0 45 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 6 0 0 46 41 1 1 0 0 47 42 1 6 0 0 48 43 1 1 0 0 45 18 1 6 0 0 50 51 1 0 0 0 51 21 1 0 0 0 0 56 62 1 0 0 0 61 55 1 0 0 0 55 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 58 52 1 6 0 0 59 53 1 1 0 0 60 54 1 6 0 0 71 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 70 71 1 0 0 0 71 72 1 6 0 0 67 56 1 1 0 0 68 63 1 6 0 0 69 64 1 6 0 0 70 65 1 1 0 0 57 20 1 1 0 0 M CHG 1 10 1 M END > LMPK12010083 > Pelargonidin 3-rutinoside-7-(6-(4-(glucosyl)-p-hydroxybenzoyl)glucoside) > 3,5,7,4'-Tetrahydroxyflavylium 3-rutinoside-7-(6-(4-(glucosyl)-p-hydroxybenzoyl)glucoside) > C46H55O26 > 1023.30 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > MUTUBHBFJGODGK-LUTCTDBESA-O > InChI=1S/C46H54O26/c1-16-29(50)33(54)37(58)43(65-16)64-15-28-32(53)36(57)40(61)46(72-28)69-25-12-22-23(49)10-21(11-24(22)68-41(25)17-2-6-19(48)7-3-17)67-45-39(60)35(56)31(52)27(71-45)14-63-42(62)18-4-8-20(9-5-18)66-44-38(59)34(55)30(51)26(13-47)70-44/h2-12,16,26-40,43-47,50-61H,13-15H2,1H3,(H-,48,49)/p+1/t16-,26+,27+,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,43+,44+,45+,46+/m0/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[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 100914220 > - > - > - > - > - > 33090; 46246 > - $$$$