LMPK12112932 LIPID_MAPS_STRUCTURE_DATABASE 47 51 0 0 0 999 V2000 11.4445 9.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4445 7.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3625 7.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2806 7.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2806 9.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3625 9.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1985 7.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1167 7.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1167 9.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1985 9.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1985 6.3911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2725 9.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2082 9.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1437 9.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1437 10.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2082 11.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2725 10.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3625 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0200 11.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5728 9.4942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5044 7.4076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2082 12.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0727 7.3983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0116 12.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7851 7.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5043 6.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7506 8.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1110 9.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 11.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8318 10.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1925 12.9737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7459 9.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8391 9.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0178 10.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1063 11.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0131 11.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1016 12.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9109 6.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2631 5.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4603 6.3004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0225 8.4338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9294 8.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0094 7.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1829 6.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2815 6.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2014 7.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 8.2953 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 8 23 1 0 0 0 0 16 22 1 0 0 0 0 2 21 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 21 26 1 0 0 0 31 37 1 0 0 0 36 30 1 0 0 0 30 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 1 0 0 33 27 1 6 0 0 34 28 1 1 0 0 35 29 1 6 0 0 46 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 6 0 0 42 27 1 1 0 0 43 38 1 6 0 0 44 39 1 6 0 0 45 40 1 1 0 0 32 20 1 1 0 0 M END > LMPK12112932 > Jaceidin 7-neohesperidoside > > C30H36O17 > 668.20 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > HZEWHESQZMJCAC-YEWIPZRVSA-N > InChI=1S/C30H36O17/c1-10-18(33)22(37)24(39)29(43-10)47-28-23(38)19(34)16(9-31)46-30(28)45-15-8-14-17(20(35)26(15)41-3)21(36)27(42-4)25(44-14)11-5-6-12(32)13(7-11)40-2/h5-8,10,16,18-19,22-24,28-35,37-39H,9H2,1-4H3/t10-,16+,18-,19+,22+,23-,24+,28+,29-,30+/m0/s1 > C1(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=C(OC)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1OC > - > - > - > - > - > - > 102273900 > - > - > - > - > - > 33090 > - $$$$