LMPK12112646 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 999 V2000 7.4069 12.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4069 11.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2538 10.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1009 11.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1009 12.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2538 12.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9480 10.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7950 11.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7950 12.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9480 12.8758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9480 10.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6417 12.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5052 12.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3685 12.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3685 13.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5052 14.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6417 13.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3952 10.8165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2538 9.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5052 15.3675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7565 12.8974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3337 14.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0606 12.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1643 13.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0810 9.6764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9064 7.6823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0956 6.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4471 9.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5487 6.9925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3558 9.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1754 9.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0867 8.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1813 7.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3616 8.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4561 7.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7285 10.8127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5367 9.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6940 7.9630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0653 8.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9836 9.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8072 9.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7128 9.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7916 8.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9679 7.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0465 6.8268 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 8 18 1 0 0 0 0 3 19 1 0 0 0 0 16 20 1 0 0 0 0 1 21 1 0 0 0 0 15 22 1 0 0 0 0 21 23 1 0 0 0 0 22 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 25 1 1 0 0 41 36 1 6 0 0 42 37 1 6 0 0 43 38 1 1 0 0 30 18 1 1 0 0 M END > LMPK12112646 > Ombuin 3-neohesperidoside > > C29H34O16 > 638.18 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > ZCAWIAMHFVOPCS-JFJUKJKOSA-N > InChI=1S/C29H34O16/c1-10-19(33)22(36)24(38)28(41-10)45-27-23(37)20(34)17(9-30)43-29(27)44-26-21(35)18-14(32)7-12(39-2)8-16(18)42-25(26)11-4-5-15(40-3)13(31)6-11/h4-8,10,17,19-20,22-24,27-34,36-38H,9H2,1-3H3/t10-,17+,19-,20+,22+,23-,24+,27+,28-,29-/m0/s1 > C1(OC)=CC2OC(C3C=C(O)C(OC)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1 > - > - > - > - > - > - > 102158612 > - > - > - > - > - > 33090 > - $$$$