LMPR0106150051 LIPID_MAPS_STRUCTURE_DATABASE 85 93 0 0 0 999 V2000 12.8610 9.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9829 8.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6173 7.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4955 7.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4955 10.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6173 10.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3737 10.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2517 8.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1299 9.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2517 11.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0082 10.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0082 11.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9829 7.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3541 6.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8610 7.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3295 6.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6368 13.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1299 12.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6229 13.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7392 8.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7392 9.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4955 8.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4955 9.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3737 9.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3938 8.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7392 7.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7392 6.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6173 9.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6173 8.4162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2517 10.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2517 9.9170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1299 10.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9860 9.7075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0082 9.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1048 7.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2517 7.7623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9949 8.7686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8732 10.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7652 5.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8845 4.5821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3545 5.8596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3939 7.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1646 6.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9948 5.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0543 5.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2948 6.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4645 7.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3945 4.1131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2061 2.1228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3915 1.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7621 3.8599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8476 1.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6725 4.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4871 3.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3914 2.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4841 2.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6696 2.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7622 2.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6163 4.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8921 5.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9087 7.8789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4994 7.3653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7085 9.2093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4938 6.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6247 5.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7611 6.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7695 7.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6385 7.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6469 8.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9701 2.9074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4445 1.6181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5654 2.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9138 4.5659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8507 4.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0276 3.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2676 2.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3252 2.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1483 3.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8742 12.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7403 11.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6063 12.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7404 10.8033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4250 8.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4226 8.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8665 7.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 2 13 1 0 0 0 0 13 15 1 0 0 0 0 15 26 1 0 0 0 0 28 20 1 0 0 0 0 20 26 1 0 0 0 0 26 3 1 0 0 0 0 3 4 1 0 0 0 0 4 22 1 0 0 0 0 22 24 1 0 0 0 0 28 22 1 0 0 0 0 6 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 30 7 1 0 0 0 0 7 24 1 0 0 0 0 24 8 1 0 0 0 0 8 9 1 0 0 0 0 9 32 1 0 0 0 0 32 11 1 0 0 0 0 30 32 1 0 0 0 0 10 30 1 0 0 0 0 18 10 1 0 0 0 0 18 12 1 0 0 0 0 11 12 1 0 0 0 0 13 35 1 1 0 0 0 15 14 1 0 0 0 0 15 16 1 0 0 0 0 18 17 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 1 0 0 0 22 23 1 1 0 0 0 24 25 1 6 0 0 0 26 27 1 6 0 0 0 28 29 1 6 0 0 0 30 31 1 1 0 0 0 32 34 1 1 0 0 0 34 33 1 0 0 0 0 8 36 1 6 0 0 9 37 1 6 0 0 11 38 1 6 0 0 42 47 1 0 0 0 47 46 1 0 0 0 46 45 1 0 0 0 45 44 1 0 0 0 44 43 1 0 0 0 43 42 1 0 0 0 43 35 1 1 0 0 44 39 1 6 0 0 45 40 1 1 0 0 46 41 1 1 0 0 52 58 1 0 0 0 57 51 1 0 0 0 51 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 1 0 0 53 39 1 1 0 0 54 48 1 6 0 0 55 49 1 1 0 0 56 50 1 6 0 0 63 69 1 0 0 0 68 62 1 0 0 0 62 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 69 1 1 0 0 64 41 1 1 0 0 65 59 1 6 0 0 66 60 1 1 0 0 67 61 1 6 0 0 73 78 1 0 0 0 78 77 1 0 0 0 77 76 1 0 0 0 76 75 1 0 0 0 75 74 1 0 0 0 74 73 1 0 0 0 74 59 1 1 0 0 75 70 1 6 0 0 76 71 1 1 0 0 77 72 1 6 0 0 12 79 1 1 0 0 79 80 1 0 0 0 80 81 1 0 0 0 80 82 2 0 0 0 33 83 1 0 0 0 83 84 2 0 0 0 83 85 1 0 0 0 M END > LMPR0106150051 > Arenaroside B > 3-O-beta-d-glucopyranosyl-(1-2)-[beta-d-xylopyranosyl-(1-2)-beta-d-glucopyranosyl-(1-4)]-alpha-l-arabinopyranosyl-21beta,28-diacetoxy-3beta,15alpha,16alpha, 22alpha-tetrahydroxyolean-12-ene > C56H90O26 > 1178.57 > Prenol Lipids [PR] > Isoprenoids [PR01] > C30 isoprenoids (triterpenes) [PR0106] > Oleanane triterpenoids [PR010615] > > TYPGPDWXCCFLGR-IXMUVPBWSA-N > InChI=1S/C56H90O26/c1-22(59)75-21-56-25(16-51(3,4)46(45(56)72)76-23(2)60)24-10-11-31-53(7)14-13-32(52(5,6)30(53)12-15-54(31,8)55(24,9)43(70)44(56)71)80-49-41(82-48-40(69)37(66)34(63)27(17-57)77-48)36(65)29(20-74-49)79-50-42(38(67)35(64)28(18-58)78-50)81-47-39(68)33(62)26(61)19-73-47/h10,25-50,57-58,61-72H,11-21H2,1-9H3/t25-,26+,27+,28+,29-,30-,31+,32-,33-,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44+,45-,46-,47-,48-,49-,50-,53-,54+,55-,56-/m0/s1 > C1[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C2[C@@]3(C)[C@@H](O)[C@@H](O)[C@]3(COC(C)=O)[C@@]2([H])CC(C)(C)[C@@H](OC(=O)C)[C@@H]3O)C(C)(C)[C@@H](O[C@@H]2OC[C@H](O[C@H]3[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@H](O)[C@H]2O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C1 > - > - > - > - > - > - > 164617820 > - > - > - > - > - > 431020 > 33459007 $$$$