16760045 -OEChem-04192417422D 66 68 0 1 0 0 0 0 0999 V2000 5.4432 -3.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1752 -3.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1284 -3.4614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -1.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2217 -5.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7733 4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6393 4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7733 3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5053 4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6393 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5053 3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2733 5.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7733 4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6393 1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0412 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -1.6250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1752 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1752 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -2.6250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0412 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5771 -2.6250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4432 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1752 1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5771 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7111 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 -2.7183 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6066 -4.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6284 -4.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0378 5.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2408 5.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1159 4.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7174 4.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7174 2.7924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1159 3.4826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6952 3.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2967 2.7673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8102 5.5510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9633 5.7779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7364 4.9310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7733 4.9950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1533 4.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7733 3.7550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1193 1.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5178 1.9826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0193 1.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6393 1.2550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2593 1.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -1.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3873 -1.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7858 -1.0174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9632 0.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5646 -0.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -3.2450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5782 0.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0402 -2.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -0.5050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4852 2.4119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6383 2.1850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8652 1.3380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0402 -1.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1987 -2.5578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1752 -3.7450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0673 -4.5344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 23 1 0 0 0 0 2 21 1 0 0 0 0 2 64 1 0 0 0 0 3 28 1 0 0 0 0 3 30 1 0 0 0 0 4 28 1 0 0 0 0 4 66 1 0 0 0 0 5 30 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 17 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 22 2 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 24 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 22 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 22 56 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 23 57 1 0 0 0 0 24 26 2 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 62 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 63 1 0 0 0 0 29 30 1 0 0 0 0 29 65 1 0 0 0 0 M END > 16760045 > 1 > 770 > 5 > 2 > 7 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAQAAAAAgQAAAAAAAAAAAAAAAGgAACAAADxSwgAMCCAAABgCIAiDSCAAAAAAgAAAICAAAAEgQFAIAIQACUAAFwAAMMQOAgMAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-hydroxy-3-[2-hydroxy-3-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-6-yl]-2H-furan-5-one > 2-hydroxy-3-[2-hydroxy-3-[(E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexenyl)hex-3-enyl]-3,6-dihydro-2H-pyran-6-yl]-2H-furan-5-one > 2-hydroxy-3-[2-hydroxy-3-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-6-yl]-2H-furan-5-one > 2-hydroxy-3-[2-hydroxy-3-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-6-yl]-2H-furan-5-one > 3-[3-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-2-oxidanyl-3,6-dihydro-2H-pyran-6-yl]-2-oxidanyl-2H-furan-5-one > 2-hydroxy-3-[2-hydroxy-3-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-6-yl]-2H-furan-5-one > InChI=1S/C25H36O5/c1-16(10-12-20-17(2)8-6-14-25(20,3)4)7-5-9-18-11-13-21(29-23(18)27)19-15-22(26)30-24(19)28/h7,11,13,15,18,21,23-24,27-28H,5-6,8-10,12,14H2,1-4H3/b16-7+ > IHBISWKFXRKGKM-FRKPEAEDSA-N > 4.1 > 416.25627424 > C25H36O5 > 416.5 > CC1=C(C(CCC1)(C)C)CCC(=CCCC2C=CC(OC2O)C3=CC(=O)OC3O)C > CC1=C(C(CCC1)(C)C)CC/C(=C/CCC2C=CC(OC2O)C3=CC(=O)OC3O)/C > 76 > 416.25627424 > 0 > 30 > 0 > 4 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 18 19 3 21 2 3 23 27 3 28 4 3 $$$$