LMPK12110529 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 999 V2000 13.8635 11.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8636 12.4420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9723 10.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9722 9.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0809 9.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1884 9.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2959 9.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2959 8.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1885 7.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0809 8.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4046 7.8093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4047 9.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7348 9.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7348 8.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6298 7.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5249 8.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5249 9.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6298 9.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4198 7.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3148 8.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3148 9.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4198 9.9354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4198 7.0629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8403 9.9351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3090 9.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2418 9.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1948 9.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2147 11.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2817 11.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3290 11.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1097 11.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6298 6.8355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2817 12.6176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8881 10.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8882 12.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6189 13.9645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4882 11.4672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1731 13.9481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6201 10.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7535 11.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7548 12.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6202 12.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4867 12.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3521 12.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 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 8 11 1 0 0 0 0 7 12 1 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 18 1 0 0 0 0 18 13 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 19 23 2 0 0 0 0 13 24 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 25 21 1 0 0 0 0 28 31 1 0 0 0 0 15 32 1 0 0 0 0 29 33 1 0 0 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 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 0 0 0 43 44 1 1 0 0 40 34 1 6 0 0 41 35 1 1 0 0 42 36 1 6 0 0 39 18 1 1 0 0 34 1 1 0 0 0 0 M END > LMPK12110529 > Orientin 2''-O-caffeate > > C30H26O14 > 610.13 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > GLGMQXIELSJUJP-KAYIEURESA-N > InChI=1S/C30H26O14/c31-11-22-26(40)27(41)30(44-23(39)6-2-12-1-4-14(32)16(34)7-12)29(43-22)25-19(37)9-18(36)24-20(38)10-21(42-28(24)25)13-3-5-15(33)17(35)8-13/h1-10,22,26-27,29-37,40-41H,11H2/b6-2+/t22-,26-,27+,29+,30-/m1/s1 > C(O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1C1=C(O)C=C(O)C2C(=O)C=C(C3C=C(O)C(O)=CC=3)OC=21)(/C=C/C1C=CC(O)=C(O)C=1)=O > - > - > - > - > - > - > 100953245 > - > - > - > - > - > 33090 > - $$$$