LMPK12050234 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 10.4659 9.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4659 8.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3416 7.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2170 8.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2170 9.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3416 9.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0925 7.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9680 8.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9680 9.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0925 9.8974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0925 7.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5909 9.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3416 6.8651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9730 6.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8957 6.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8183 6.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8183 7.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8957 8.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9730 7.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7401 8.3138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7401 6.1840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4385 6.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7532 5.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0731 6.4159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7531 8.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3315 7.7324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5985 7.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5985 6.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7531 6.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9132 6.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9132 7.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0731 8.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6590 10.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6591 12.8302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3417 13.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1869 11.3711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8526 13.7830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3428 10.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5003 11.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5017 12.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3429 12.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1854 12.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0267 12.8261 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 1 12 1 0 0 0 0 3 13 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 8 19 1 0 0 0 0 16 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 37 43 1 0 0 0 42 36 1 0 0 0 36 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 0 0 0 42 43 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 38 6 1 1 0 0 27 2 1 1 0 0 M END > LMPK12050234 > Orobol 6,8-di-C-glucoside > > C27H30O16 > 610.15 > Polyketides [PK] > Flavonoids [PK12] > Isoflavonoids [PK1205] > - > > RPKHTKXJJJHYOC-BOLWDHOCSA-N > InChI=1S/C27H30O16/c28-4-11-17(33)21(37)23(39)26(42-11)14-19(35)13-16(32)8(7-1-2-9(30)10(31)3-7)6-41-25(13)15(20(14)36)27-24(40)22(38)18(34)12(5-29)43-27/h1-3,6,11-12,17-18,21-24,26-31,33-40H,4-5H2/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(C3C=CC(O)=C(O)C=3)C(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1 > - > - > - > - > - > - > 21676218 > - > - > - > - > - > 33090; 1265830 > - $$$$