LMPK12111705 LIPID_MAPS_STRUCTURE_DATABASE 64 70 0 0 0 0 0 0 0 0999 V2000 9.2368 12.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2368 11.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1045 10.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9721 11.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9721 12.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1045 12.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8398 10.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7076 11.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7076 12.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8398 12.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8398 9.9179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8002 12.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6843 12.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5687 12.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5687 13.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6843 14.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8002 13.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1045 9.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5153 14.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4325 12.9097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6892 10.6334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7504 6.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6583 6.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7269 5.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5993 4.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4416 5.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4416 6.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3620 6.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2825 6.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2825 5.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3620 4.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2019 6.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9153 11.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0308 10.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6685 11.9272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8065 13.3577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3030 13.3944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4927 12.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2342 11.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2892 11.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6083 12.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8668 13.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1857 13.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1717 9.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8200 7.4560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9889 6.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5959 9.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5048 7.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5148 9.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2562 9.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0785 8.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1632 7.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4218 8.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5063 8.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3767 5.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4381 5.6920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6317 7.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1300 8.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5376 7.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9736 6.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0019 6.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5989 7.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1629 8.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7598 9.0465 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 22 23 2 0 0 0 0 22 24 1 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 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 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 0 0 0 42 43 1 1 0 0 38 20 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 48 54 1 0 0 0 53 47 1 0 0 0 47 49 1 0 0 0 49 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 1 0 0 49 21 1 1 0 0 50 44 1 6 0 0 51 45 1 1 0 0 52 46 1 1 0 0 63 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 0 0 0 62 63 1 0 0 0 63 64 1 6 0 0 59 48 1 1 0 0 60 55 1 6 0 0 61 56 1 6 0 0 62 57 1 1 0 0 46 22 1 0 0 0 0 M END > LMPK12111705 > Variabiloside D > 3,5,7,4'-Tetrahydroxyflavone 3- (4"-(Z)-p-coumarylrobinobioside)-7-glucoside > C42H46O22 > 902.25 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > YUDSUZANKRPJIV-VQFAKYQKSA-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 > - > - > - > - > - > - > 13942393 > - > - > - > - > - > 33090; 26496 > - $$$$