LMPR0104130007 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 9.4385 8.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5983 9.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2604 9.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4385 7.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2604 8.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7491 8.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5741 10.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2636 10.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5937 7.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0901 9.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7446 7.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8998 9.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7399 9.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4189 10.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0080 10.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8998 7.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0550 8.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0550 7.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5937 8.3486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7399 6.8785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5188 7.3791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 6.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0285 5.8629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7590 5.8559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1895 9.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6584 7.3997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 6.8959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 8.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5197 9.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2245 9.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9589 8.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9885 7.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2891 8.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 9.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8552 10.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0336 11.2291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9742 11.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1526 12.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0931 12.8861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7363 10.9201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8552 12.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2716 13.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 6 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 8 3 1 6 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 6 0 0 0 7 14 1 0 0 0 0 10 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 16 18 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 17 18 1 0 0 0 0 2 19 1 1 0 0 0 11 20 1 1 0 0 0 5 21 1 6 0 0 16 22 1 6 0 0 22 23 1 0 0 0 22 24 2 0 0 0 17 25 1 1 0 0 34 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 0 0 0 34 35 1 1 0 0 30 25 1 1 0 0 31 26 1 6 0 0 32 27 1 1 0 0 33 28 1 6 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 37 40 2 0 0 0 39 41 1 0 0 0 39 42 1 0 0 0 M END > LMPR0104130007 > 2-O-(6-O-isocaleryl-beta-D-glucopyranosyl) atractyligenin > > C30H46O10 > 566.31 > Prenol Lipids [PR] > Isoprenoids [PR01] > C20 isoprenoids (diterpenes) [PR0104] > Kaurane and phyllocladane diterpenoids [PR010413] > > OXDRSZXSSZKWID-JQHIDBDQSA-N > InChI=1S/C30H46O10/c1-14(2)9-22(31)38-13-20-23(32)24(33)25(34)28(40-20)39-17-10-18(27(36)37)19-7-8-30-11-16(15(3)26(30)35)5-6-21(30)29(19,4)12-17/h14,16-21,23-26,28,32-35H,3,5-13H2,1-2,4H3,(H,36,37)/t16?,17-,18-,19-,20-,21+,23-,24+,25-,26+,28-,29-,30-/m1/s1 > [C@@]123[C@@H](O)C([C@@H](CC[C@@]1([H])[C@]1(C)C[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(C)C)O4)C[C@@H](C(=O)O)[C@@]1([H])CC2)C3)=C > - > - > - > - > - > - > 171118932 > - > - > - > - > - > 318068 > 32954869 $$$$