LMPK12110858 LIPID_MAPS_STRUCTURE_DATABASE 46 50 0 0 0 999 V2000 12.2376 8.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2376 7.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0966 7.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9556 7.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9556 8.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0966 9.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8147 7.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6737 7.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6737 8.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8147 9.0361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8147 6.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0966 6.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7238 9.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6290 8.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5341 9.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5341 10.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6290 10.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7238 10.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4636 10.7772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2514 9.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4412 8.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6290 11.7165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2551 12.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4412 7.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2623 5.5247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5288 4.5239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8006 5.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5286 7.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0377 6.8787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3982 7.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3982 6.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5286 5.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 6.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 7.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8006 7.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3659 8.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 9.7096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2048 11.6734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6700 10.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2248 12.8462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4902 9.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5475 9.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7844 10.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9660 11.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9087 11.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0903 12.3445 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 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 3 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 9 13 1 0 0 0 0 16 19 1 0 0 0 0 1 20 1 0 0 0 0 17 22 1 0 0 0 0 15 21 1 0 0 0 0 22 23 1 0 0 0 0 21 24 1 0 0 0 0 29 35 1 0 0 0 34 28 1 0 0 0 28 30 1 0 0 0 30 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 1 0 0 31 25 1 6 0 0 32 26 1 1 0 0 33 27 1 6 0 0 40 46 1 0 0 0 45 39 1 0 0 0 39 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 1 0 0 41 20 1 1 0 0 42 36 1 6 0 0 43 37 1 1 0 0 44 38 1 6 0 0 30 2 1 1 0 0 M END > LMPK12110858 > Isopyrenin 7-O-glucoside > > C29H34O17 > 654.18 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > SWENSQIVQCHHFS-SYFHTCOVSA-N > InChI=1S/C29H34O17/c1-41-14-3-9(4-15(42-2)20(14)33)11-5-10(32)18-12(43-11)6-13(45-29-27(40)25(38)22(35)17(8-31)46-29)19(23(18)36)28-26(39)24(37)21(34)16(7-30)44-28/h3-6,16-17,21-22,24-31,33-40H,7-8H2,1-2H3/t16-,17-,21-,22-,24+,25+,26-,27-,28+,29-/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=C(OC)C(O)=C(OC)C=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1 > - > - > - > - > - > - > 102402475 > - > - > - > - > - > 33090 > - $$$$