Mrv0541 05061312272D 67 71 0 0 0 0 999 V2000 -1.3744 -1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6593 -2.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0543 -1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0543 -0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3744 -0.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3744 -0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 -0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 -0.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3578 2.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1035 2.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2963 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6593 -0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6593 0.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0543 0.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7693 0.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4843 0.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6549 1.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4757 1.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8112 0.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 0.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9515 -0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6198 0.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4843 -0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7693 -0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7693 -1.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6188 -2.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -2.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5586 -2.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 -1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 -2.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0481 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2317 -1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9453 -2.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6590 -1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3726 -2.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0862 -1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7999 -2.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5135 -1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2273 -2.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9409 -1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9409 -0.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6559 -0.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2317 -0.9948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6559 0.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9409 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2259 0.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5108 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7958 0.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 -0.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9757 0.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6824 -0.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4015 0.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1082 -0.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8288 0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5356 -0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2561 0.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9629 -0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9491 -1.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6559 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2412 -0.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6421 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9202 -2.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2121 -2.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4902 -2.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7821 -2.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 13 1 0 0 0 0 4 26 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 34 45 2 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 51 62 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 M END > HMDB0041184 > hmdb > CCCCCCCCCCCCCCCC(=O)OCC12CCC(C1C1CCC3C4(C)CC(O)C(OC(=O)CCCCCCCCCCCCCCC)C(C)(C)C4CCC3(C)C1(C)CC2)C(C)=C > InChI=1S/C62H110O5/c1-10-12-14-16-18-20-22-24-26-28-30-32-34-36-54(64)66-47-62-43-40-49(48(3)4)56(62)50-38-39-53-59(7)46-51(63)57(58(5,6)52(59)41-42-61(53,9)60(50,8)44-45-62)67-55(65)37-35-33-31-29-27-25-23-21-19-17-15-13-11-2/h49-53,56-57,63H,3,10-47H2,1-2,4-9H3 > RHHIAWXSQKGCMB-UHFFFAOYSA-N > C62H110O5 > 935.5338 > 934.83532663 > 3 > 123.74345476176339 > 0 > 1 > 0 > 0 > [17-(hexadecanoyloxy)-16-hydroxy-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-5-yl]methyl hexadecanoate > 10.45 > 18.934479522 > -7.73 > 1 > 5 > 0 > 14.140943569297377 > -3.174551282789327 > 72.83 > 281.2273 > 34 > 0 > 1.74e-05 g/l > [17-(hexadecanoyloxy)-16-hydroxy-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-5-yl]methyl hexadecanoate > 0 > HMDB0041184 > 3,28-Dihexadecanoyl 20(29)-lupene-2a,3b,28-triol $$$$