LMPR0106150068 LIPID_MAPS_STRUCTURE_DATABASE 80 87 0 0 0 999 V2000 19.6302 6.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7698 7.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6302 8.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7698 8.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4906 8.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4906 7.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0494 7.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1890 6.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7698 5.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6302 5.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3507 6.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2110 7.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3507 9.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0712 8.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0713 9.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1890 5.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3288 5.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5526 4.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0493 5.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5082 4.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9095 6.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9097 7.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6302 7.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4906 6.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9095 5.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7698 6.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3507 8.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3507 7.6694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2111 8.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7565 6.9168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0712 7.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7077 11.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2111 10.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7144 11.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0765 6.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9267 3.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9370 10.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0670 8.5758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6312 3.3111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6582 2.9778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3878 4.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7044 5.7906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1451 6.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3448 5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9960 4.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0069 3.9153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3719 4.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7206 5.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0854 6.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3490 7.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3736 2.5169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6336 1.5290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9132 2.5413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6548 4.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1603 3.9004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5205 4.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5134 3.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6406 2.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7805 3.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7876 4.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9273 4.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2619 2.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0733 0.1600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2571 -0.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6272 1.8986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5384 2.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3538 1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2580 0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3499 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5346 0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9730 8.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0602 7.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7919 8.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9366 10.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4364 11.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4364 9.2905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4361 11.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9366 11.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9095 4.6895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.9361 10.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 0 0 0 0 1 23 1 1 0 0 0 2 1 1 0 0 0 0 2 21 1 0 0 0 0 2 26 1 6 0 0 0 4 2 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 27 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 11 1 0 0 0 0 6 24 1 6 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 16 1 0 0 0 0 25 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 29 1 0 0 0 0 13 27 1 0 0 0 0 33 13 1 0 0 0 0 29 14 1 0 0 0 0 14 15 1 0 0 0 0 33 15 1 0 0 0 0 16 19 1 0 0 0 0 16 17 1 1 0 0 0 19 18 1 6 0 0 0 19 25 1 0 0 0 0 19 20 1 1 0 0 0 21 25 1 0 0 0 0 21 22 1 1 0 0 0 27 29 1 0 0 0 0 27 28 1 1 0 0 0 29 31 1 1 0 0 0 31 30 1 0 0 0 0 33 32 1 0 0 0 0 33 34 1 0 0 0 0 12 35 1 6 0 0 20 36 1 0 0 0 15 37 1 1 0 0 14 38 1 6 0 0 43 49 1 0 0 0 48 42 1 0 0 0 42 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 1 0 0 44 17 1 1 0 0 45 39 1 6 0 0 46 40 1 1 0 0 47 41 1 6 0 0 49 50 2 0 0 0 55 61 1 0 0 0 60 54 1 0 0 0 54 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 1 0 0 56 41 1 1 0 0 57 51 1 6 0 0 58 52 1 1 0 0 59 53 1 6 0 0 70 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 0 0 0 69 70 1 0 0 0 66 39 1 1 0 0 67 62 1 6 0 0 68 63 1 1 0 0 69 64 1 6 0 0 38 71 1 0 0 0 71 72 2 0 0 0 71 73 1 0 0 0 37 74 1 0 0 0 74 75 1 0 0 0 74 76 2 0 0 0 75 77 2 0 0 0 75 78 1 0 0 0 25 79 1 6 0 0 0 77 80 1 0 0 0 M END > LMPR0106150068 > Escin IIb > 21-angeloyl-22-acetyl-protoaescigenin 3-O[beta-D-xylopyranosyl (1-2)][beta-D-glucopyranosyl (1-4)]-beta-D-glucopyranosiduronic acid > C54H84O23 > 1100.54 > Prenol Lipids [PR] > Isoprenoids [PR01] > C30 isoprenoids (triterpenes) [PR0106] > Oleanane triterpenoids [PR010615] > Aescin IIb > MLLNRQWNTKNRGQ-GJSMMZDWSA-N > InChI=1S/C54H84O23/c1-10-23(2)45(69)77-42-43(71-24(3)58)54(22-57)26(17-49(42,4)5)25-11-12-30-50(6)15-14-32(51(7,21-56)29(50)13-16-52(30,8)53(25,9)18-31(54)60)73-48-40(75-46-36(64)33(61)27(59)20-70-46)38(66)39(41(76-48)44(67)68)74-47-37(65)35(63)34(62)28(19-55)72-47/h10-11,26-43,46-48,55-57,59-66H,12-22H2,1-9H3,(H,67,68)/b23-10-/t26-,27+,28+,29+,30+,31+,32-,33-,34+,35-,36+,37+,38-,39-,40+,41-,42-,43-,46-,47-,48+,50-,51+,52+,53+,54-/m0/s1 > [C@@]12([C@]3(C)C[C@@H](O)[C@]4(CO)[C@@]([H])(CC(C)(C)[C@@H](OC(=O)/C(/C)=C\C)[C@@H]4OC(C)=O)C3=CC[C@]1([H])[C@]1(C)[C@]([H])([C@](CO)(C)[C@@H](O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](C(=O)O)O3)CC1)CC2)C > - > - > - > - > - > - > 10260627 > - > - > - > - > - > 43364 > 8795266 $$$$