LMPK12113113 LIPID_MAPS_STRUCTURE_DATABASE 55 60 0 0 0 999 V2000 11.9876 11.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9876 10.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8656 9.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7434 10.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7434 11.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8656 11.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6211 9.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4990 10.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4990 11.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6211 11.9360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6211 8.9365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3765 11.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2709 11.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1656 11.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1656 12.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2709 13.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3765 12.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1103 11.9358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3882 9.8788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8656 8.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0886 13.5018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8656 12.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5734 13.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0086 11.0283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8227 10.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9945 8.1927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3636 8.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4912 6.5398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2748 9.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0943 10.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0032 9.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0888 8.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2691 8.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3549 7.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6326 4.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6372 4.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5055 6.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9252 7.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4960 6.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0666 5.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0664 5.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5007 6.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9300 7.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3641 8.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2706 9.9408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6228 8.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8200 9.6634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3822 11.7969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9511 10.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2890 11.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3692 10.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5425 9.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6412 10.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5611 11.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6597 11.6583 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 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 6 22 1 0 0 0 0 22 23 1 0 0 0 0 28 34 1 0 0 0 33 27 1 0 0 0 27 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 1 0 0 30 24 1 6 0 0 31 25 1 1 0 0 32 26 1 6 0 0 43 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 0 0 0 43 44 1 6 0 0 39 28 1 1 0 0 40 35 1 6 0 0 41 36 1 6 0 0 42 37 1 1 0 0 29 19 1 1 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 50 18 1 1 0 0 51 45 1 6 0 0 52 46 1 1 0 0 53 47 1 6 0 0 M END > LMPK12113113 > Sexangularetin 3-rutinoside-7-glucoside > > C34H42O21 > 786.22 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > ULKXVGKKZFALCW-RNZOSBSJSA-N > InChI=1S/C34H42O21/c1-10-18(38)22(42)25(45)32(50-10)49-9-16-20(40)24(44)27(47)34(53-16)55-31-21(41)17-13(37)7-14(51-33-26(46)23(43)19(39)15(8-35)52-33)29(48-2)30(17)54-28(31)11-3-5-12(36)6-4-11/h3-7,10,15-16,18-20,22-27,32-40,42-47H,8-9H2,1-2H3/t10-,15+,16+,18-,19+,20+,22+,23-,24-,25+,26+,27+,32+,33+,34-/m0/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C(OC)C2OC(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)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 44259929 > - > - > - > - > - > 33090 > - $$$$