LMPR0106150054 LIPID_MAPS_STRUCTURE_DATABASE 81 89 0 0 0 999 V2000 12.8611 9.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9830 8.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6175 7.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4957 7.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4957 10.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6175 10.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3739 10.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2519 8.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1301 9.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2519 11.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0084 10.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0084 11.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9830 7.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3542 6.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8611 7.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3296 6.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6371 13.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1301 12.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6231 13.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7393 8.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7393 9.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4957 8.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4957 9.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3739 9.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3940 8.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7393 7.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7393 6.9563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6175 9.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6175 8.4163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2519 10.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2519 9.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1301 10.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9862 9.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0084 9.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1049 7.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2519 7.7624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9951 8.7687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8734 10.2897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7653 5.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8846 4.5821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3546 5.8597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3940 7.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1647 6.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9949 5.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0544 5.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2949 6.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4646 7.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3946 4.1131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2062 2.1228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3916 1.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7622 3.8599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8477 1.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6726 4.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4872 3.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3915 2.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4842 2.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6697 2.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7623 2.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6164 4.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8921 5.8845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9087 7.8790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4995 7.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7086 9.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4939 6.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6248 5.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7612 6.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7696 7.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6386 7.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6470 8.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9702 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 4.8508 4.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0277 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 19.7020 8.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6676 8.3205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4433 7.0961 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 37 79 1 0 0 0 79 80 2 0 0 0 79 81 1 0 0 0 M END > LMPR0106150054 > Arenaroside E > 3-O-beta-d-glucopyranosyl-(1-2)-[beta-d-xylopyranosyl-(1-2)-beta-d-glucopyranosyl-(1-4)]-alpha-l-arabinopyranosyl-16alpha-acetoxy-3beta,15alpha,22alpha,28-tetrahydroxyolean-12-ene > C54H88O24 > 1120.57 > Prenol Lipids [PR] > Isoprenoids [PR01] > C30 isoprenoids (triterpenes) [PR0106] > Oleanane triterpenoids [PR010615] > > XUZAKBQMTOGXDQ-WEIOMZFESA-N > InChI=1S/C54H88O24/c1-22(58)72-44-43(69)53(8)23(24-15-49(2,3)16-31(60)54(24,44)21-57)9-10-30-51(6)13-12-32(50(4,5)29(51)11-14-52(30,53)7)76-47-41(78-46-40(68)37(65)34(62)26(17-55)73-46)36(64)28(20-71-47)75-48-42(38(66)35(63)27(18-56)74-48)77-45-39(67)33(61)25(59)19-70-45/h9,24-48,55-57,59-69H,10-21H2,1-8H3/t24-,25+,26+,27+,28-,29-,30+,31-,32-,33-,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44+,45-,46-,47-,48-,51-,52+,53-,54+/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](OC(C)=O)[C@]3(CO)[C@@]2([H])CC(C)(C)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 > - > - > - > - > - > - > 164624188 > - > - > - > - > - > 431020 > 33459007 $$$$