LMPK12113187 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 999 V2000 7.5626 11.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5626 10.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3927 9.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2229 10.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2229 11.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3927 11.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0531 9.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8833 10.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8833 11.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0531 11.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0531 8.7775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7132 11.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5595 11.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4056 11.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4056 12.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5595 13.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7132 12.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3927 8.7613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7290 9.6342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7325 11.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1814 13.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3927 12.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5595 13.8111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1572 14.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3337 10.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1478 9.9322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3195 7.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6886 8.2102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8162 6.2898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5998 9.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4193 9.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3282 9.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4138 8.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5942 7.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6799 6.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9576 4.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9622 4.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8306 5.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2502 7.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8210 6.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3917 5.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3915 5.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8257 6.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2551 6.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6891 7.7748 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 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 8 1 0 0 0 0 1 20 1 0 0 0 0 15 21 1 0 0 0 0 6 22 1 0 0 0 0 16 23 1 0 0 0 0 23 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 44 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 0 0 0 44 45 1 6 0 0 40 29 1 1 0 0 41 36 1 6 0 0 42 37 1 6 0 0 43 38 1 1 0 0 30 19 1 1 0 0 M END > LMPK12113187 > Haplogenin 3-rutinoside > > C28H32O17 > 640.16 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > SZBSCNAFTSOCMN-QHLTYIRKSA-N > InChI=1S/C28H32O17/c1-8-16(32)20(36)22(38)27(42-8)41-7-14-18(34)21(37)23(39)28(43-14)45-26-19(35)15-11(30)6-12(31)17(33)25(15)44-24(26)9-3-4-10(29)13(5-9)40-2/h3-6,8,14,16,18,20-23,27-34,36-39H,7H2,1-2H3/t8-,14+,16-,18+,20+,21-,22+,23+,27+,28-/m0/s1 > C1(O)=C(O)C2OC(C3C=C(OC)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 102574480 > - > - > - > - > - > 33090 > - $$$$