LMPK12110442 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 12.1128 -8.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1940 -8.4480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2753 -8.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2753 -10.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1940 -10.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1128 -10.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3568 -8.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4380 -8.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4380 -10.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3568 -10.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6078 -8.4990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3568 -11.5205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1940 -11.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1180 -8.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0365 -8.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9553 -8.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9553 -7.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0365 -6.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1180 -7.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7464 -6.8806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5923 -7.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6290 -7.3277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6290 -5.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3597 -4.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2291 -6.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9139 -4.3460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3609 -7.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4944 -6.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4957 -5.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3610 -5.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2276 -5.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0930 -5.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2038 -6.7311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 -6.1993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7732 -4.2661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4118 -4.0914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6660 -5.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9534 -5.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9865 -5.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7362 -4.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4488 -3.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1984 -2.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 3 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 4 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 5 13 2 0 0 0 0 1 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 19 2 0 0 0 0 19 14 1 0 0 0 0 17 20 1 0 0 0 0 20 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 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 27 7 1 1 0 0 41 36 1 0 0 0 36 37 1 0 0 0 37 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 6 0 0 37 23 1 1 0 0 38 33 1 6 0 0 39 34 1 6 0 0 40 35 1 1 0 0 M END > LMPK12110442 > Cytisoside 3''-O-beta-D-rhamnopyranoside > > C28H32O14 > 592.18 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > ROHFXZVXVOFJHV-WLEPCZSSSA-N > InChI=1S/C28H32O14/c1-10-20(33)22(35)23(36)28(39-10)42-27-21(34)17(9-29)41-26(24(27)37)19-14(31)7-13(30)18-15(32)8-16(40-25(18)19)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-24,26-31,33-37H,9H2,1-2H3/t10-,17+,20-,21+,22+,23+,24-,26-,27-,28-/m0/s1 > C1(C2C=CC(OC)=CC=2)=CC(=O)C2C(O)=CC(O)=C([C@H]3[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@H](O)[C@@H](CO)O3)C=2O1 > - > - > - > - > - > - > 21592284 > - > - > - > - > - > 33090 > - $$$$