LMPK12113211 LIPID_MAPS_STRUCTURE_DATABASE 46 50 0 0 0 999 V2000 11.6685 9.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6685 7.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5931 7.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5176 7.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5176 9.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5931 9.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4419 7.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3667 7.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3667 9.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4419 9.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4419 6.4955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5307 9.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4729 9.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4152 9.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4152 10.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4729 11.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5307 10.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5931 6.3767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2872 11.3758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8457 9.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3028 7.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4729 12.4021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5931 10.5535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2501 10.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1904 12.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7264 7.9190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7323 8.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8906 9.9044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4541 10.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0424 11.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8795 9.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3056 8.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3061 8.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8855 9.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4594 10.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0387 11.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8627 6.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0038 4.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0130 4.3060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2992 6.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2991 7.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8672 6.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4356 5.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4402 5.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8722 6.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8767 5.9535 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 20 1 1 0 0 0 0 21 8 1 0 0 0 0 4 3 1 0 0 0 0 6 23 1 0 0 0 0 16 22 1 0 0 0 0 23 24 1 0 0 0 0 22 25 1 0 0 0 0 30 36 1 0 0 0 35 29 1 0 0 0 29 31 1 0 0 0 31 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 1 0 0 32 26 1 6 0 0 33 27 1 1 0 0 34 28 1 6 0 0 45 40 1 0 0 0 40 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 6 0 0 41 26 1 1 0 0 42 37 1 6 0 0 43 38 1 6 0 0 44 39 1 1 0 0 31 20 1 1 0 0 M END > LMPK12113211 > Limocitrin 7-neohesperidoside > > C29H34O17 > 654.18 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > QHGXSAZITOZQRI-ZNSWVMJOSA-N > InChI=1S/C29H34O17/c1-9-17(33)20(36)23(39)28(42-9)46-27-21(37)18(34)15(8-30)44-29(27)43-14-7-12(32)16-19(35)22(38)24(45-26(16)25(14)41-3)10-4-5-11(31)13(6-10)40-2/h4-7,9,15,17-18,20-21,23,27-34,36-39H,8H2,1-3H3/t9-,15+,17-,18+,20+,21-,23+,27+,28-,29+/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(OC)C2OC(C3C=C(OC)C(O)=CC=3)=C(O)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 102402394 > - > - > - > - > - > 33090 > - $$$$