LMPK12020165 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 999 V2000 12.2233 10.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2233 9.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1183 9.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0136 9.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0136 10.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1183 11.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9088 9.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8041 9.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8041 10.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9088 11.1837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6989 11.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6114 10.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5237 11.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5237 12.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6114 12.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6989 12.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4359 12.7636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1183 8.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3283 11.1834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9088 8.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1183 12.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5686 9.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0098 9.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2761 6.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6541 5.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8796 5.8462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4173 7.9464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0243 7.1148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3100 7.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3889 6.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5751 5.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6880 6.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6091 7.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7218 7.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5370 10.3636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9311 11.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1187 13.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6181 12.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0182 14.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5265 11.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6308 11.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8266 11.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9205 12.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8162 13.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9100 14.2818 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 1 0 0 0 11 12 2 0 0 0 0 12 13 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 11 1 0 0 0 0 14 17 1 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 7 20 1 6 0 0 0 6 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 28 34 1 0 0 0 33 27 1 0 0 0 27 29 1 0 0 0 29 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 1 0 0 29 18 1 1 0 0 30 24 1 6 0 0 31 25 1 1 0 0 32 26 1 6 0 0 39 45 1 0 0 0 44 38 1 0 0 0 38 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 1 0 0 40 19 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 M END > LMPK12020165 > Triphyllin B > > C29H38O16 > 642.22 > Polyketides [PK] > Flavonoids [PK12] > Flavans, Flavanols and Leucoanthocyanidins [PK1202] > - > > WZGAICRUQPMGRL-UVFNWLARSA-N > InChI=1S/C29H38O16/c1-10-25(44-28-23(39)21(37)19(35)16(8-31)42-28)13(7-30)27(45-29-24(40)22(38)20(36)17(9-32)43-29)18-14(34)6-15(41-26(10)18)11-2-4-12(33)5-3-11/h2-5,14-17,19-24,28-40H,6-9H2,1H3/t14-,15+,16+,17+,19+,20+,21-,22-,23+,24+,28-,29-/m0/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C(C)C2O[C@@H](C3C=CC(O)=CC=3)C[C@H](O)C=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1CO > - > - > - > - > - > - > 21636258 > - > - > - > - > - > 33090; 872900 > - $$$$