LMPK12111704 LIPID_MAPS_STRUCTURE_DATABASE 64 70 0 0 0 999 V2000 11.5790 12.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5790 11.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4649 10.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3510 11.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3510 12.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4649 13.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2371 10.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1231 11.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1231 12.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2371 13.0389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2371 10.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2386 13.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1418 12.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0447 13.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0447 14.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1418 14.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2386 14.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4649 9.9699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0111 14.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7578 13.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1784 10.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0208 5.2356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5882 6.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1870 5.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3867 5.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0817 4.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1464 4.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5164 6.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8212 6.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7565 6.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5796 6.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5692 11.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7491 10.4245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1228 11.5835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0318 13.4134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4909 13.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8504 12.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7561 11.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8432 11.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0303 12.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1245 12.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3114 13.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7023 9.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3408 7.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4586 6.9137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0546 9.5268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9992 9.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7613 9.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5786 8.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6377 7.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8756 8.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9346 8.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6013 6.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6642 6.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2639 7.8004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4616 9.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1670 8.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9012 7.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9299 7.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2299 8.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4957 9.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7956 9.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1183 8.7884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3871 6.2418 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 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 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 1 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 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 28 31 1 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 1 0 0 47 21 1 1 0 0 48 43 1 6 0 0 49 44 1 1 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 6 0 0 58 53 1 6 0 0 59 54 1 6 0 0 60 55 1 1 0 0 52 63 1 0 0 0 57 63 1 1 0 0 64 22 2 0 0 0 0 64 23 1 0 0 0 0 45 64 1 0 0 0 0 M END > LMPK12111704 > Variabiloside C > > C42H46O22 > 902.25 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > YUDSUZANKRPJIV-UVKOFWPCSA-N > InChI=1S/C42H46O22/c1-16-28(48)31(51)34(54)40(58-16)57-15-25-38(63-26(47)11-4-17-2-7-19(44)8-3-17)33(53)36(56)42(62-25)64-39-30(50)27-22(46)12-21(59-41-35(55)32(52)29(49)24(14-43)61-41)13-23(27)60-37(39)18-5-9-20(45)10-6-18/h2-13,16,24-25,28-29,31-36,38,40-46,48-49,51-56H,14-15H2,1H3/b11-4+/t16-,24+,25+,28-,29+,31+,32-,33+,34+,35+,36+,38-,40+,41+,42-/m0/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](OC(/C=C/C4C=CC(O)=CC=4)=O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 13942392 > - > - > - > - > - > 33090 > - $$$$