LMPK12112489 LIPID_MAPS_STRUCTURE_DATABASE 46 50 0 0 0 999 V2000 7.5554 11.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5554 10.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3788 10.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2020 10.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2020 11.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3788 12.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0252 10.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8484 10.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8484 11.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0252 12.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0252 9.4822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6711 12.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5103 11.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3493 12.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3493 13.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5103 13.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6711 13.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3788 9.2731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8372 10.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7325 12.1242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1920 13.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5103 14.3774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0814 11.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1632 14.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9189 12.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4086 11.3033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2227 10.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3945 8.4677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7636 8.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8912 6.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6748 9.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4943 10.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4032 9.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4888 8.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6692 8.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7549 7.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0326 5.0070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0372 4.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9055 6.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3252 7.5586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8960 6.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4666 5.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4665 5.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9007 6.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3300 7.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7641 8.2998 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 14 23 1 0 0 0 0 16 22 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 30 36 1 0 0 0 35 29 1 0 0 0 29 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 0 0 0 35 36 1 1 0 0 32 26 1 6 0 0 33 27 1 1 0 0 34 28 1 6 0 0 45 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 0 0 0 45 46 1 6 0 0 41 30 1 1 0 0 42 37 1 6 0 0 43 38 1 6 0 0 44 39 1 1 0 0 31 19 1 1 0 0 M END > LMPK12112489 > Syringetin 3-rutinoside > > C29H34O17 > 654.18 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > BWDMLCWSGGUHGK-MWLOISQDSA-N > InChI=1S/C29H34O17/c1-9-18(32)22(36)24(38)28(43-9)42-8-16-20(34)23(37)25(39)29(45-16)46-27-21(35)17-12(31)6-11(30)7-13(17)44-26(27)10-4-14(40-2)19(33)15(5-10)41-3/h4-7,9,16,18,20,22-25,28-34,36-39H,8H2,1-3H3/t9-,16+,18-,20+,22+,23-,24+,25+,28+,29-/m0/s1 > C1(O)=CC2OC(C3C=C(OC)C(O)=C(OC)C=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 > - > - > - > - > - > - > 102402404 > - > - > - > - > - > 33090 > - $$$$