LMPK12110522 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 0 0 0 0 0999 V2000 14.4250 10.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5291 11.2556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6329 10.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6329 9.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5291 9.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4250 9.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7367 11.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8407 10.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8407 9.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7367 9.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0308 11.2059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7367 8.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5291 8.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4056 11.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3015 10.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1976 11.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1976 12.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3015 12.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4056 12.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9692 12.7847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0182 10.8307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8225 7.7533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0993 6.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3814 7.7531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 9.7428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9635 9.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9635 8.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 7.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2404 8.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2404 9.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3814 9.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6196 6.8997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7789 4.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1434 3.7913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0831 6.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9033 6.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8017 6.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8804 5.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0626 4.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1641 5.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3462 4.6449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9635 10.2394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 5 13 2 0 0 0 0 1 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 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 16 21 1 0 0 0 0 30 25 1 0 0 0 25 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 6 0 0 27 22 1 1 0 0 28 23 2 0 0 0 40 35 1 0 0 0 35 36 1 0 0 0 36 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 6 0 0 36 22 1 1 0 0 37 32 1 6 0 0 38 33 1 6 0 0 39 34 1 1 0 0 26 9 1 0 0 0 29 24 1 1 0 0 26 42 1 1 0 0 M END > LMPK12110522 > Cassiaoccidentalin B > 6-[6-Deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-L-ribo-hexopyranos-3-ulos-1-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one > C27H28O14 > 576.15 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > WGIMZJFXUGTVFX-RUYCBFJTSA-N > InChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22,24-29,31-35,37H,1-2H3/t8-,9-,19-,20-,22+,24+,25+,26-,27-/m0/s1 > C1(C2C=CC(O)=C(O)C=2)=CC(=O)C2C(O)=C([C@]3([H])[C@@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)C(=O)[C@@H](O)[C@H](C)O3)C(O)=CC=2O1 > - > - > 70205 > - > - > - > 70698280 > - > - > - > - > - > 33090; 126820 > - $$$$