LMPK12010338 LIPID_MAPS_STRUCTURE_DATABASE 65 71 0 0 0 999 V2000 12.9105 15.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9105 14.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7951 13.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6800 14.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6800 15.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7951 15.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5647 13.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4493 14.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4493 15.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5647 15.7774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4109 15.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2957 15.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1803 15.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1803 16.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2957 17.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4110 16.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9731 17.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5125 13.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1923 15.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6315 12.8043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2956 18.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0039 15.3464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6813 13.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7776 14.1186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6320 12.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7416 11.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8648 12.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8787 13.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0007 13.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1093 13.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0957 12.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9733 11.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2326 14.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7728 10.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7776 10.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6458 12.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0655 13.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5377 14.0321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6363 12.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2070 11.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2067 11.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6410 12.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0703 13.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5044 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1087 14.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9228 13.9322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0945 11.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4636 12.2102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5912 10.2898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3748 13.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1944 13.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1032 13.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1888 12.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3692 11.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4550 10.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7326 8.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7372 8.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6056 9.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0252 11.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5960 10.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1667 9.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1665 9.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6007 10.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0301 10.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4642 11.7748 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 23 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 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 30 33 1 0 0 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 1 0 0 39 20 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 23 38 1 0 0 0 0 49 55 1 0 0 0 54 48 1 0 0 0 48 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 1 0 0 51 45 1 6 0 0 52 46 1 1 0 0 53 47 1 6 0 0 64 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 6 0 0 60 49 1 1 0 0 61 56 1 6 0 0 62 57 1 6 0 0 63 58 1 1 0 0 50 18 1 1 0 0 M CHG 1 10 1 M END > LMPK12010338 > > Delphinidin 3-rutinoside-5-(6-(Z)-p-coumaroylglucoside) > C42H47O23 > 919.25 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > XJYKTQOUFOKCDP-YYYWGMDHSA-O > InChI=1S/C42H46O23/c1-15-29(48)33(52)36(55)40(60-15)59-14-27-32(51)35(54)38(57)42(65-27)63-25-12-20-23(61-39(25)17-8-21(45)30(49)22(46)9-17)10-19(44)11-24(20)62-41-37(56)34(53)31(50)26(64-41)13-58-28(47)7-4-16-2-5-18(43)6-3-16/h2-12,15,26-27,29,31-38,40-42,48,50-57H,13-14H2,1H3,(H4-,43,44,45,46,47,49)/p+1/t15-,26+,27+,29-,31+,32+,33+,34-,35-,36+,37+,38+,40+,41+,42+/m0/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(O)=C(O)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)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C\C3C=CC(O)=CC=3)=O)O2)=C1 > - > - > - > - > - > - > 178335879 > - > - > - > - > - > 33090 > - $$$$