LMPK12140333 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 0 0 0 0 0999 V2000 12.3315 10.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3315 9.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1692 8.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0069 9.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0069 10.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1692 10.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8446 8.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6823 9.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6823 10.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8446 10.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5196 10.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3807 10.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2417 10.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2417 11.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3807 12.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5196 11.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6823 11.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1692 7.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4943 10.6364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8446 8.0801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0980 12.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2940 11.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6424 10.9887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2073 12.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7338 14.3788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1473 13.2118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8856 12.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9057 11.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1872 12.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4505 13.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4305 13.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6937 14.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6924 11.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0301 10.3324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2090 8.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7885 9.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1264 7.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7013 10.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7820 10.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9494 9.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0391 8.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9585 8.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0480 7.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21 22 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 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 9 17 1 1 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 7 20 2 0 0 0 0 14 21 1 0 0 0 0 31 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 6 0 0 28 23 1 6 0 0 29 24 1 6 0 0 30 25 1 1 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 6 0 0 39 33 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 27 33 1 1 0 0 38 19 1 6 0 0 M END > LMPK12140333 > Poncirin > (2S)-5-Hydroxy-4'-methoxy-7-[alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyloxy]flavan-4-one > C28H34O14 > 594.19 > Polyketides [PK] > Flavonoids [PK12] > Flavanones [PK1214] > - > isosakuranetin 7-O-neohesperidoside > NLAWPKPYBMEWIR-SKYQDXIQSA-N > InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/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)C=C2O[C@]([H])(C3C=CC(OC)=CC=3)CC(=O)C2=C(O)C=1 > C09830 > - > 66773 > - > - > - > 442456 > - > - > - > - > - > 33090; 37690 > 19367677 $$$$