LMPK12010320 LIPID_MAPS_STRUCTURE_DATABASE 60 65 0 0 0 999 V2000 14.0573 12.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0573 11.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9387 10.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8204 11.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8204 12.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9387 12.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7018 10.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5832 11.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5832 12.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7018 12.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5413 12.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4229 12.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3044 12.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3044 13.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4229 14.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5413 13.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0942 14.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6425 10.7582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3417 12.8007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9387 9.9198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4229 15.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1249 12.4672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3364 9.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3313 10.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4485 10.6338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2092 10.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2041 11.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3213 12.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1363 9.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7919 7.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9315 6.8718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5127 9.4585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4176 7.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4465 9.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2059 9.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0321 8.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1021 7.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3423 8.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4122 8.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8608 10.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5715 9.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5549 7.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9847 8.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9904 9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8525 9.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7093 8.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7010 7.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8388 7.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8305 6.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3276 10.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6028 9.8381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8974 10.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6238 12.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1510 12.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4819 12.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4749 11.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6097 10.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7571 11.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7642 12.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9114 12.8249 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 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 15 21 1 0 0 0 0 13 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 33 39 1 0 0 0 38 32 1 0 0 0 32 34 1 0 0 0 34 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 1 0 0 35 29 1 6 0 0 36 30 1 1 0 0 37 31 1 6 0 0 48 43 1 0 0 0 43 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 6 0 0 44 29 1 1 0 0 45 40 1 6 0 0 46 41 1 6 0 0 47 42 1 1 0 0 34 18 1 1 0 0 54 60 1 0 0 0 59 53 1 0 0 0 53 55 1 0 0 0 55 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 1 0 0 55 19 1 1 0 0 56 50 1 6 0 0 57 51 1 1 0 0 58 52 1 6 0 0 27 54 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010320 > > Delphinidin 3-neohesperidoside-7-(6-malonylglucoside) > C36H43O24 > 859.21 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > WFTCKFPYAPNNAQ-KXGKYMRZSA-O > InChI=1S/C36H42O24/c1-10-23(44)27(48)30(51)34(54-10)60-33-29(50)25(46)19(8-37)58-36(33)57-18-6-13-14(38)4-12(5-17(13)56-32(18)11-2-15(39)24(45)16(40)3-11)55-35-31(52)28(49)26(47)20(59-35)9-53-22(43)7-21(41)42/h2-6,10,19-20,23,25-31,33-37,44,46-52H,7-9H2,1H3,(H4-,38,39,40,41,42,45)/p+1/t10-,19+,20+,23-,25+,26+,27+,28-,29-,30+,31+,33+,34-,35+,36+/m0/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(O)=O)O2)=CC2[O+]=C(C3C=C(O)C(O)=C(O)C=3)C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 100967507 > - > - > - > - > - > 33090; 696374 > - $$$$