LMPK12140247 LIPID_MAPS_STRUCTURE_DATABASE 53 58 0 0 0 999 V2000 17.2758 8.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2758 7.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1881 7.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1003 7.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1003 8.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1881 9.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0124 7.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9247 7.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9247 8.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0124 9.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8365 9.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7663 8.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6960 9.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6960 10.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7663 10.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8365 10.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0124 6.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3636 9.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6259 10.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1881 6.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5695 5.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9975 4.8946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4759 5.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9293 6.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8357 6.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3974 7.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5207 7.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0824 6.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5207 5.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3974 5.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2076 6.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7711 11.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3231 12.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8855 11.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4423 12.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5563 12.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9985 11.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8832 11.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3256 12.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8832 13.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9985 13.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2094 12.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0021 7.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1163 6.5805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5972 7.8769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6584 9.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4233 8.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2426 7.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2969 7.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5375 8.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7182 9.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9587 9.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0509 10.8411 0.0000 O 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 1 0 0 0 0 9 10 1 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 7 17 2 0 0 0 0 18 1 1 0 0 0 0 14 19 1 0 0 0 0 3 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 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 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 36 1 0 0 0 0 39 42 1 0 0 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 18 1 1 0 0 48 43 1 6 0 0 49 44 1 1 0 0 50 45 1 6 0 0 52 53 1 0 0 0 53 32 1 0 0 0 0 44 21 1 0 0 0 0 M END > LMPK12140247 > Prunin 3'',6''-di-p-coumarate > > C39H34O14 > 726.19 > Polyketides [PK] > Flavonoids [PK12] > Flavanones [PK1214] > - > > YHSNRKOEKHUGSK-MNTHYFCQSA-N > InChI=1S/C39H34O14/c40-24-9-1-21(2-10-24)5-15-33(45)49-20-32-36(47)38(53-34(46)16-6-22-3-11-25(41)12-4-22)37(48)39(52-32)50-27-17-28(43)35-29(44)19-30(51-31(35)18-27)23-7-13-26(42)14-8-23/h1-18,30,32,36-43,47-48H,19-20H2/b15-5+,16-6+/t30?,32-,36-,37-,38+,39-/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](OC(/C=C/C3C=CC(O)=CC=3)=O)[C@H](O)[C@@H](COC(/C=C/C3C=CC(O)=CC=3)=O)O2)=CC2OC(C3C=CC(O)=CC=3)CC(=O)C=2C(O)=C1 > - > - > - > - > - > - > 23760111 > - > - > - > - > - > 33090 > - $$$$