LMPK12020073 LIPID_MAPS_STRUCTURE_DATABASE 38 41 0 0 0 999 V2000 11.3436 8.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3436 7.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2021 7.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0606 7.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0606 8.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2021 9.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9190 7.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7774 7.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7774 8.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9190 9.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6358 9.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5107 8.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3856 9.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3856 10.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5107 10.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6358 10.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2441 10.5403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2021 6.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6358 7.0519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5107 11.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2021 10.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0861 10.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0861 11.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2903 12.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4944 11.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4944 10.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2903 10.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 10.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 9.4804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7774 10.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9190 10.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9446 12.3819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2903 13.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2903 9.5166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4852 9.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0606 10.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 12.3819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7051 11.8446 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 6 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 8 19 1 1 0 0 0 15 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 23 32 1 0 0 0 0 24 33 1 0 0 0 0 27 34 1 0 0 0 0 1 35 1 0 0 0 0 31 36 1 0 0 0 0 25 37 1 0 0 0 0 37 38 1 0 0 0 0 M END > LMPK12020073 > Pilosanol C > (1S)-8abeta-[(beta-D-Glucopyranosyloxy)methyl]-1,2,3,4,4aalpha,5,6,8a-octahydro-4alpha-[(Z)-5-hydroxy-3-hydroxymethyl-3-pentenyl]-3beta,4,8-trimethylnaphthalen-1beta-ol > C28H30O10 > 526.18 > Polyketides [PK] > Flavonoids [PK12] > Flavans, Flavanols and Leucoanthocyanidins [PK1202] > - > > UYBMYSLWGHMDRE-WXVAWEFUSA-N > InChI=1S/C28H30O10/c1-4-5-18(30)23-25(36)16(24(35)12(2)26(23)37-3)9-14-19(31)11-20(32)15-10-22(34)27(38-28(14)15)13-6-7-17(29)21(33)8-13/h6-8,11,22,27,29,31-36H,4-5,9-10H2,1-3H3/t22-,27+/m0/s1 > C1(O)=C(CC2C(O)=C(C(CCC)=O)C(OC)=C(C)C=2O)C2O[C@H](C3C=C(O)C(O)=CC=3)[C@@H](O)CC=2C(O)=C1 > - > - > - > - > - > - > 44257098 > - > - > - > - > - > 33090; 74656 > - $$$$