LMPK12050162 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 12.0596 9.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0596 8.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9322 8.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8050 8.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8050 9.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9322 10.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6774 8.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5503 8.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5503 9.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6774 10.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6774 7.1566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4223 8.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4223 7.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2318 6.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0409 7.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0409 8.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2318 8.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8487 6.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2902 10.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9322 7.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0316 6.6255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2508 5.5975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4755 6.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2506 8.6815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6918 8.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1440 8.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1440 7.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2506 6.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3632 7.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3632 8.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4755 8.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1309 11.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1310 13.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9089 14.2470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8020 11.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5055 14.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9101 11.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0199 11.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0213 12.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9102 13.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8005 12.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6894 13.2190 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 8 12 1 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 17 1 0 0 0 0 17 12 2 0 0 0 0 15 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 25 31 1 0 0 0 30 24 1 0 0 0 24 26 1 0 0 0 26 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 1 0 0 27 21 1 6 0 0 28 22 1 1 0 0 29 23 1 6 0 0 26 2 1 1 0 0 36 42 1 0 0 0 41 35 1 0 0 0 35 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 1 0 0 38 32 1 6 0 0 39 33 1 1 0 0 40 34 1 6 0 0 37 6 1 1 0 0 M END > LMPK12050162 > Paniculatin > 6,8-Bis(beta-D-glucopyranosyl)-5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one > C27H30O15 > 594.16 > Polyketides [PK] > Flavonoids [PK12] > Isoflavonoids [PK1205] > - > > ISNRVVKKHPECQN-BOLWDHOCSA-N > InChI=1S/C27H30O15/c28-5-11-17(32)21(36)23(38)26(41-11)14-19(34)13-16(31)10(8-1-3-9(30)4-2-8)7-40-25(13)15(20(14)35)27-24(39)22(37)18(33)12(6-29)42-27/h1-4,7,11-12,17-18,21-24,26-30,32-39H,5-6H2/t11-,12-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1 > C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C2OC=C(C3=CC=C(O)C=C3)C(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1 > C10513 > - > 7910 > - > - > - > 169419 > - > - > - > - > - > 33090; 265830 > - $$$$