LMPK12010118 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 7.5662 12.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5662 11.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4255 10.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2851 11.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2851 12.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4255 12.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1443 10.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0037 11.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0037 12.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1443 12.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8625 12.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7385 12.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6144 12.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6144 13.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7385 14.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8625 13.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4899 14.0961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7072 12.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4255 9.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8941 10.4267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7385 15.1072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1737 8.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4915 7.0316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5320 6.6885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5689 9.3226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0825 7.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5530 9.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 8.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8507 7.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8710 7.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2301 8.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2502 8.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0521 9.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5705 8.2814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2087 6.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7529 7.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9320 8.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8711 8.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6314 7.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4503 6.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5113 6.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3303 5.6564 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 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 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 15 21 1 0 0 0 0 26 32 1 0 0 0 31 25 1 0 0 0 25 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 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 41 36 1 0 0 0 36 37 1 0 0 0 37 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 6 0 0 37 22 1 1 0 0 38 33 1 6 0 0 39 34 1 6 0 0 40 35 1 1 0 0 27 20 1 1 0 0 M CHG 1 10 1 M END > LMPK12010118 > Cyanidin 3-neohesperidoside > 3,5,7,3',4'-Pentahydroxyflavylium 3-rhamnosyl-(1->2)-glucoside > C27H31O15 > 595.17 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > Cyanidin 3-(2-rhamnosylglucoside) > MODDEUXQZZTKNN-ZJLVPQBBSA-O > InChI=1S/C27H30O15/c1-9-19(33)21(35)23(37)26(38-9)42-25-22(36)20(34)18(8-28)41-27(25)40-17-7-12-14(31)5-11(29)6-16(12)39-24(17)10-2-3-13(30)15(32)4-10/h2-7,9,18-23,25-28,33-37H,8H2,1H3,(H3-,29,30,31,32)/p+1/t9-,18+,19-,20+,21+,22-,23+,25+,26-,27+/m0/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(O)=CC=3)C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 44256723 > - > - > - > - > - > 33090; 120621 > - $$$$