LMPK12113127 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 999 V2000 13.4059 8.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4059 7.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2914 7.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1768 7.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1768 8.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2914 9.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0623 7.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9476 7.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9476 8.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0623 9.4274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0623 6.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0626 9.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9650 9.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8676 9.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8676 10.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9650 11.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0626 10.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2914 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8334 11.2238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8442 7.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2914 10.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7871 12.3863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2125 13.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1371 13.2586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9691 10.8863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2166 12.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0015 11.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7494 12.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4648 12.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4270 12.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6791 11.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6414 11.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3836 13.9602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5434 15.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5313 15.4011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7930 12.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7886 14.4872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7940 12.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3776 13.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9600 14.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9538 14.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3703 13.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3643 13.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5399 9.4161 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 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 20 8 1 0 0 0 0 4 3 1 0 0 0 0 6 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 27 21 1 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 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 1 0 0 38 26 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 1 44 1 0 0 0 M END > LMPK12113127 > Herbacetin 8-gentiobioside > > C27H30O17 > 626.15 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > NEXNCPZBXXOJGZ-YYRCZZSQSA-N > InChI=1S/C27H30O17/c28-6-12-15(32)18(35)21(38)26(41-12)40-7-13-16(33)19(36)22(39)27(42-13)44-24-11(31)5-10(30)14-17(34)20(37)23(43-25(14)24)8-1-3-9(29)4-2-8/h1-5,12-13,15-16,18-19,21-22,26-33,35-39H,6-7H2/t12-,13-,15-,16-,18+,19+,21-,22-,26-,27+/m1/s1 > C1(O)=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)O2)C2OC(C3C=CC(O)=CC=3)=C(O)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 102154337 > - > - > - > - > - > 33090 > - $$$$