Mrv0541 05061311032D 60 68 0 0 0 0 999 V2000 3.1087 -1.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3933 1.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5211 -2.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2267 0.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0642 0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5570 1.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3886 -0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0489 -1.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2399 -1.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9330 0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6823 0.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2552 0.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8733 0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4462 1.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4024 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5049 -0.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4621 -1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1961 -3.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6531 -0.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4035 0.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9766 -3.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0358 0.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5934 -0.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9468 -0.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9753 -0.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5198 0.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1663 -0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7420 0.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8315 -0.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7405 -2.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0768 0.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2412 -4.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5802 1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6967 -4.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3892 1.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8877 -4.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6538 0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0940 -2.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5496 -2.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8294 -1.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6231 -3.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1093 -0.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0204 -1.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3288 -0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9017 0.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0066 -0.4165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3871 -3.2191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0502 -4.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3156 2.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9613 -5.5899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9337 1.9012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3432 -5.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4628 0.3383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9030 -2.4642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1676 -3.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3003 0.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7559 -0.5781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4760 -1.9794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8141 -3.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3739 -0.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 19 1 1 0 0 0 0 19 7 1 0 0 0 0 19 17 1 0 0 0 0 20 2 1 0 0 0 0 21 3 1 0 0 0 0 22 4 1 0 0 0 0 23 8 2 0 0 0 0 23 15 1 0 0 0 0 24 11 1 0 0 0 0 24 15 1 0 0 0 0 25 9 1 0 0 0 0 26 12 1 0 0 0 0 26 25 1 0 0 0 0 27 16 1 0 0 0 0 27 25 1 0 0 0 0 28 10 1 0 0 0 0 28 20 1 0 0 0 0 29 16 1 0 0 0 0 30 18 1 0 0 0 0 31 20 1 0 0 0 0 31 29 1 0 0 0 0 32 21 1 0 0 0 0 33 22 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 39 30 1 0 0 0 0 39 38 1 0 0 0 0 40 38 1 0 0 0 0 41 36 1 0 0 0 0 42 37 1 0 0 0 0 43 40 1 0 0 0 0 44 5 1 0 0 0 0 44 13 1 0 0 0 0 44 23 1 0 0 0 0 44 26 1 0 0 0 0 45 6 1 0 0 0 0 45 14 1 0 0 0 0 45 27 1 0 0 0 0 45 31 1 0 0 0 0 46 17 1 0 0 0 0 46 28 1 0 0 0 0 46 29 1 0 0 0 0 47 18 1 0 0 0 0 48 32 1 0 0 0 0 49 33 1 0 0 0 0 50 34 1 0 0 0 0 51 35 1 0 0 0 0 52 36 1 0 0 0 0 53 37 1 0 0 0 0 54 38 1 0 0 0 0 55 21 1 0 0 0 0 55 41 1 0 0 0 0 56 22 1 0 0 0 0 56 42 1 0 0 0 0 57 24 1 0 0 0 0 57 43 1 0 0 0 0 58 30 1 0 0 0 0 58 43 1 0 0 0 0 59 39 1 0 0 0 0 59 41 1 0 0 0 0 60 40 1 0 0 0 0 60 42 1 0 0 0 0 M END > FDB018909 > foodb > CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(O)C1O > InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3 > TYNQWWGVEGFKRU-UHFFFAOYSA-N > C45H73NO14 > 852.0594 > 851.503106049 > 15 > 96.30670834802265 > 0 > 8 > 0 > 0 > 2-{[4-hydroxy-2-(hydroxymethyl)-6-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl}oxy)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol > 1.87 > 0.6103215601378127 > -3.47 > 1 > 9 > 1 > 12.563149400649408 > 12.218002600948315 > 11.784001120236216 > 220.45999999999995 > 215.00990000000004 > 7 > 0 > 2.90e-01 g/l > 2-{[4-hydroxy-2-(hydroxymethyl)-6-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl}oxy)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol > 0 > FDB018909 > alpha-Chaconine $$$$