Mrv1652309122202352D 32 32 0 0 1 0 999 V2000 -4.4335 4.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7191 3.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0046 4.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7191 2.7643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0046 2.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0046 1.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2901 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2901 0.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5757 1.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5757 2.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8612 2.7643 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8612 3.5893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 2.3518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5592 1.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2658 3.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2857 -0.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7706 -1.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5911 -1.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -1.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9266 -0.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 0.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.8571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5977 0.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2923 1.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0997 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 6 0 0 0 13 16 1 0 0 0 0 17 16 1 6 0 0 0 17 18 1 0 0 0 0 18 19 2 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 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 19 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 17 32 1 0 0 0 0 M END > NP0322045 > NP-MRD > CC(=O)OC\C=C(\C)CC[C@H](O)[C@@](C)(O)C[C@H]1OC(=O)C(CC\C=C(\C)COC(C)=O)=C1 > InChI=1S/C24H36O8/c1-16(11-12-30-18(3)25)9-10-22(27)24(5,29)14-21-13-20(23(28)32-21)8-6-7-17(2)15-31-19(4)26/h7,11,13,21-22,27,29H,6,8-10,12,14-15H2,1-5H3/b16-11-,17-7-/t21-,22-,24-/m0/s1 > PYHNWCDPXQSNQA-PLBQDBAHSA-N > C24H36O8 > 452.544 > 452.241018119 > 5 > 68 > 49.047290875210436 > 1 > 2 > 0 > 1 > (2Z,6S,7S)-8-[(2R)-4-[(3Z)-5-(acetyloxy)-4-methylpent-3-en-1-yl]-5-oxo-2,5-dihydrofuran-2-yl]-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl acetate > 2.1466984133333327 > 0 > 1 > 0 > 13.881053813112022 > 12.522142040881935 > -3.2375926752214603 > 119.36 > 120.83249999999998 > 15 > 1 > (2Z,6S,7S)-8-[(2R)-4-[(3Z)-5-(acetyloxy)-4-methylpent-3-en-1-yl]-5-oxo-2H-furan-2-yl]-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl acetate > 0 > NP0322045 > (2z,6s,7s)-8-[(2r)-4-[(3z)-5-(acetyloxy)-4-methylpent-3-en-1-yl]-5-oxo-2h-furan-2-yl]-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl acetate $$$$